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14505-32-9 | 4(3H)-Quinazolinone, 3-methyl-2-(phenylamino)-
CAS No: 14505-32-9 Catalog No: AG001KI8 MDL No:
Product Description
Catalog Number:
AG001KI8
Chemical Name:
4(3H)-Quinazolinone, 3-methyl-2-(phenylamino)-
CAS Number:
14505-32-9
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
2-anilino-3-methylquinazolin-4-one
InChI:
InChI=1S/C15H13N3O/c1-18-14(19)12-9-5-6-10-13(12)17-15(18)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,16,17)
InChI Key:
WCNNTBXUIZGZPI-UHFFFAOYSA-N
SMILES:
O=c1n(C)c(Nc2ccccc2)nc2c1cccc2
NSC Number:
75225
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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