AG009CBO

1345675-02-6 | 2-methyl-2-{4-[2-oxo-9-(quinolin-3-yl)-4H-[1,3]oxazino[5,4-c]quinolin-1-yl]phenyl}propanenitrile

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CAS Number	1345675-02-6
Catalog Number	AG009CBO(AGN-PC-0WNNL2)
Chemical Name	2-methyl-2-{4-[2-oxo-9-(quinolin-3-yl)-4H-[1,3]oxazino[5,4-c]quinolin-1-yl]phenyl}propanenitrile
IUPAC Name	2-methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile
InChI	InChI=1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
InChI Key	DPLMXAYKJZOTKO-UHFFFAOYSA-N
MDL Number	MFCD23160051
Molecular Formula	C30H22N4O2
Molecular Weight	470.5213
SMILES	O=C1N(c2c3c(ncc2CO1)ccc(c3)c1cc2c(nc1)cccc2)c1ccc(cc1)C(C#N)(C)C
Synonyms	ETP-46464, ETP-46464, 1345675-02-6, ETP46464, 2-methyl-2-(4-(2-oxo-9-(quinolin-3-yl)-2,4-dihydro-1H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl)propanenitrile, CHEMBL3334621, 2-Methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile, SCHEMBL17466882, AOB6257, EX-A338, HMS3653L06, BCP08061, 2406AH, BDBM50044977, ETP 46464, MFCD23160051, s8050, ZINC96170445, AKOS026750344, ACN-052466, CS-1683, QC-9266, NCGC00386292-05, 2-methyl-2-(4-(2-oxo-9-(quinolin-3-yl)-2H-[1,3]oxazino[5,4-c]quinolin-1(4H)-yl)phenyl)propanenitrile, AS-16942, BC600369, HY-15521, AB0097717, FT-0744164, SW219762-1, ETP-46464, >=98% (HPLC), 2-METHYL-2-{4-[2-OXO-9-(QUINOLIN-3-YL)-4H-[1,3]OXAZINO[5,4-C]QUINOLIN-1-YL]PHENYL}PROPANENITRILE, C30H22N4O2, A8626, A13328,

Complexity	858
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	470.174g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	470.532g/mol
Monoisotopic Mass	470.174g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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