AG0076Y3

405169-16-6 | 2(1H)-Quinolinone,4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-

AG0076Y3

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CAS Number	405169-16-6
Catalog Number	AG0076Y3(AGN-PC-0RNYHU)
Chemical Name	2(1H)-Quinolinone,4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-
IUPAC Name	4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
InChI	InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
InChI Key	PIQCTGMSNWUMAF-UHFFFAOYSA-N
MDL Number	MFCD10565680
Molecular Formula	C21H21FN6O
Molecular Weight	392.4294
SMILES	CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1c(=O)[nH]c2c(c1N)c(F)ccc2
UNII	I35H55G906
Synonyms	4-amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl)quinolin-2(1H)-one, CHIR 258, CHIR-258, CHIR258, dovitinib, TKI 258, TKI-258, TKI258, Dovitinib, 405169-16-6, CHIR-258, TKI-258, Chir 258, 4-Amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Dovitinib (TKI-258, CHIR-258), CHIR258, TKI258, UNII-I35H55G906, CHEMBL522892, MFCD10565680, I35H55G906, TKI 258, (3Z)-4-Amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]-2(3H)-quinolinone, (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one, 1027263-12-2, C21H21FN6O, 2(1H)-Quinolinone,4-amino-5-fluoro-3-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-, 4-amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one, Dovitinib [INN], (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one, 4-Amino-5-Fluoro-3-(6-(4-Methylpiperazin-1-yl)-1H-Benzo[D]Imidazol-2-yl)Quinolin-2(1H)-One, 38O, TK-258, Dovitinib, Free Base, 804551-71-1, Kinome_1513, CHIR-258(Dovitinib), NVP-TKI258, MLS006009991, SCHEMBL172687, GFKI-258, GTPL5962, SCHEMBL9975396, SCHEMBL20399550, BDBM25118, CHEBI:91395, CTK4I3259, KS-00000XGE, AOB6730, QCR-175, SYN1029, PIQCTGMSNWUMAF-UHFFFAOYSA-N, BCPP000286, BDBM153731, Dovitinib,TKI258, CHIR-258, HMS3651E03, BCP01981, EX-A2051, ZINC3816310, CHIR-258, TKI258, Dovitinib, CHIR258 (TKI-258), ABP000878, s1018, ZINC18710083, Dovitinib; TKI-258; CHIR-258, AKOS005146311, AKOS015951093, ZINC100270141, ACN-050735, AN-3572, AN-5286, BCP9000518, CS-0120, DB05928, PB13248, RL03559, SB20297, NCGC00249685-01, NCGC00249685-02, 1447274-99-8, AJ-45710, AK326179, AS-19556, BC251851, HY-50905, SC-54643, SMR004701066, AB0007885, AB1008445, FT-0667782, SW219787-1, Y0345, EC-000.2257, A24080, Q-4437, TKI-258;CHIR-258;Unii-I35H55G906, 169A166, 196472-EP2270000A1, 326D834, 1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one, J-514396, S14-2675, BRD-K85402309-001-01-7, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-, 4-AMINO-5-FLUORO-3-[ 5- (4-METHYLPIPERAZIN-1-YL)-1, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2 (1h)-one, 4-amino-5-fluoro-3-[6(4-methyl-1-piperazinyl)-1h-benzimidazol-2-yl]-2(1h)-quinolinone, 4-amino-5-fluoro-3-[6-(4-methyl-piperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one, 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-quinolin-2-one, 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazole-2-yl]quinolin-2(1H)-one, (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]carbostyril, (Z)-4-amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-ylidene)quinolin-2(3H)-one, 4-AMINO-5-FLUORO-3-[ 5- (4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2,3-dihydroquinolin-2-one, 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one, D07OZR, D0K3OY, cc-257, PLX 3397, PLX-3397, CID9886808, CID9977819, CID 9977819, A2168, TKI-258, Dovitinib, CHIR258, TKI258, A11411, 915769-50-5, 4-Amino-5-fluoro-3-(5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl)quinolin-2(1H)-one, 692737-80-7, 928326-83-4,

Complexity	678
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	392.176g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	392.438g/mol
Monoisotopic Mass	392.176g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	90.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number