AG0039LB

1092364-38-9 | 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one

AG0039LB

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CAS Number	1092364-38-9
Catalog Number	AG0039LB(AGN-PC-0WAK1C)
Chemical Name	1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one
IUPAC Name	1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
InChI	InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)
InChI Key	LPFWVDIFUFFKJU-UHFFFAOYSA-N
MDL Number	MFCD28044290
Molecular Formula	C23H21Cl2FN4O3
Molecular Weight	491.3422
SMILES	ClC=1C(=C(C=CC1Cl)NC1=NC=NC2=CC(=C(C=C12)OC1CCN(CC1)C(C=C)=O)OC)F
UNII	OEI6OOU6IK
Synonyms	HM781-36, HM781-36B, poziotinib, Poziotinib, 1092364-38-9, UNII-OEI6OOU6IK, HM781-36B, NOV120101, OEI6OOU6IK, Poziotinib (HM781-36B), NOV-120101, 1-(4-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)prop-2-en-1-one, 1-(4-(4-(3,4-dichloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)prop-2-en-1-one, 2-Propen-1-one, 1-[4-[[4-[(3,4-dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-, 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one, Poziotinib [INN], HM-78136B, Tube707, poziotinib-hm781-36b, GTPL7903, SCHEMBL3391764, CHEMBL3545154, DTXSID80148853, EX-A528, LPFWVDIFUFFKJU-UHFFFAOYSA-N, BCP08270, MFCD28044290, s7358, ZINC95930125, AKOS026674078, CS-3942, DB12114, HM-781-36B, NOV 120101, SB16882, NCGC00386427-01, AC-29021, AK198898, BC600633, DA-47945, HY-15730, B5827, FT-0752903, A13044, J-690026, 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one, 1-[4-[4-(3,4-Dichloro-2-fluorophenylamino)-7-methoxyquinazoline-6-yloxy]-1-piperidinyl]-2-propene-1-one, VARLITINIB, D00YER, ACN-037459, Pan-Her/EGFR inhibitors (cancer), Hanmi,

Complexity	684
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	490.097g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	491.344g/mol
Monoisotopic Mass	490.097g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	76.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

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

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