AG002C8U

199655-36-2 | 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-2-[2-[6-[(diethylamino)methyl]-2-pyridinyl]ethenyl]-6-fluoro-

AG002C8U

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CAS Number	199655-36-2
Catalog Number	AG002C8U(AGN-PC-0QQR0F)
Chemical Name	4(3H)-Quinazolinone, 3-(2-chlorophenyl)-2-[2-[6-[(diethylamino)methyl]-2-pyridinyl]ethenyl]-6-fluoro-
IUPAC Name	3-(2-chlorophenyl)-2-[(E)-2-[6-(diethylaminomethyl)pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one;hydrochloride
InChI	InChI=1S/C26H24ClFN4O.ClH/c1-3-31(4-2)17-20-9-7-8-19(29-20)13-15-25-30-23-14-12-18(28)16-21(23)26(33)32(25)24-11-6-5-10-22(24)27;/h5-16H,3-4,17H2,1-2H3;1H/b15-13+;
InChI Key	YKYDGCRJPYLXHY-GVYCEHEKSA-N
MDL Number	MFCD12828745
Molecular Formula	C26H24ClFN4O
Molecular Weight	462.9464
SMILES	O=C1N(C4=CC=CC=C4Cl)C(/C=C/C3=NC(CN(CC)CC)=CC=C3)=NC2=C1C=C(F)C=C2
Synonyms	CP 465022 HYDROCHLORIDE, 199655-36-2, CP465022 HCl, 3-(2-Chlorophenyl)-2-[2-[6-[(diethylamino)methyl]-2-pyridinyl]ethenyl]-6-fluoro-4(3H)-quinazolinone hydrochloride, Cp465022HCl, SCHEMBL1996112, EX-A625, 1785666-59-2, MFCD12828745, AKOS024457343, CP465022, CP 465022, B7225, C-335, J-012899, (E)-3-(2-chlorophenyl)-2-(2-(6-((diethylamino)methyl)pyridin-2-yl)vinyl)-6-fluoroquinazolin-4(3H)-one hydrochloride, 3-(2-chlorophenyl)-2-[(E)-2-[6-(diethylaminomethyl)pyridin-2-yl]ethenyl]-6-fluoroquinazolin-4-one;hydrochloride., UNII-4582JTR93Y, CP-465022, A13321, 4(3H)-Quinazolinone, 3-(2-chlorophenyl)-2-(2-(6-((diethylamino)methyl)-2-pyridinyl)ethenyl)-6-fluoro-,

Complexity	727
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	498.139g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	499.411g/mol
Monoisotopic Mass	498.139g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	48.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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