Free Chemical Databases
-
[Synonyms]
NSC319867
32700-74-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 278.34832 [g/mol] Molecular Formula C18H18N2O XLogP 4.1 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 2 Exact Mass 278.141913 MonoIsotopic Mass 278.141913 Topological Polar Surface Area 32.7 Heavy Atom Count 21 Formal Charge 0 Complexity 421 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(4-methylphenyl)-3-propan-2-ylquinazolin-4-one
Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C(C)C
InChI: InChI=1/C18H18N2O/c1-12(2)20-17(14-10-8-13(3)9-11-14)19-16-7-5-4-6-15
(16)18(20)21/h4-12H,1-3H3
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