AG002M91

231278-20-9 | 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-

AG002M91

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CAS Number	231278-20-9
Catalog Number	AG002M91(AGN-PC-0D1ZTX)
Chemical Name	4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-
IUPAC Name	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
InChI	InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)
InChI Key	UHFPFDMMKYQMLC-UHFFFAOYSA-N
MDL Number	MFCD09998827
Molecular Formula	C21H14ClFIN3O
Molecular Weight	505.7112
SMILES	IC1=CC2=C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)N=CN=C2C=C1
Synonyms	231278-20-9, N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazolin-4-amine, N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine, n-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodoquinazolin-4-amine, N-[3-Chloro-4-(3-Fluorobenzyloxy)-Phenyl]-6-Iodoquinazolin-4-Amine, MFCD09998827, AK-54559, N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodoquinazolin-4-amine, 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-, N-{3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-iodoquinazolin-4-amine, Q-101357, 6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline, 4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline, N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodo-4-quinazolinamine, N-[3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL]-6-IODOQUINAZOLIN-4-AMINE, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine, N-(3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl)-6-iodoquinazolin-4-amine, UHFPFDMMKYQMLC-UHFFFAOYSA-N, PubChem19909, C21H14ClFIN3O, SCHEMBL141514, CTK1A1537, KS-00000GQC, DTXSID10436351, BCP22642, ANW-46636, ZINC22054565, AKOS015848952, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-quinazolin-4-amine, AC-8334, AN-1936, CC-1041, CS-W011494, GS-3803, QC-1121, RTC-071185, SB18203, TRA0026043, AJ-80813, SC-15093, AB0005825, AB1004632, AX8142510, TC-071185, 4CH-007541, AM20090640, FT-0658071, ST24031316, W-3958, 278C209, A816573, I01-1248, 6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]qu, 4-[3-Chloro-4-(3-fluorobenzyloxy)anilino]-6-iodoquinazoline, 4-[3-Chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazolin, N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodo-4-quinazolinamine, N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-iodoquinazolin-4-amine, N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazoline-4-amine, [3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-(6-iodo-quinazolin-4-yl)-amine, [3-Chloro-4-(3-fluorobenzyloxy)phenyl]-(6-iodoquinazo-lin-4-yl)amine, N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodanyl-quinazolin-4-amine, 6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline; N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-iodoquinazolin-4-amine; [3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl](6-iodoquinazolin-4-yl)amine, Lapatinib intermediate C, ACN-025736, CID10174519, C2965, N-[3-Chloro-4- phenyl]-6-iodoquinazolin-4-amine,

Complexity	504
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	504.985g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	505.716g/mol
Monoisotopic Mass	504.985g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	47A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number