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88369-51-1 | 4(3H)-Quinazolinone, 3-(1,2-dihydro-2-oxo-3-pyridinyl)-2-methyl-
CAS No: 88369-51-1 Catalog No: AG004MCR MDL No:
Product Description
Catalog Number:
AG004MCR
Chemical Name:
4(3H)-Quinazolinone, 3-(1,2-dihydro-2-oxo-3-pyridinyl)-2-methyl-
CAS Number:
88369-51-1
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
2-methyl-3-(2-oxo-1H-pyridin-3-yl)quinazolin-4-one
InChI:
InChI=1S/C14H11N3O2/c1-9-16-11-6-3-2-5-10(11)14(19)17(9)12-7-4-8-15-13(12)18/h2-8H,1H3,(H,15,18)
InChI Key:
GCAWJMHLALSSSK-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(=O)n1c1ccc[nH]c1=O
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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