RefChem:284108

3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methylphenyl]-2-methylquinazolin-4-one;hydrate

Also Known As: RefChem:284108|AC1L1ZY4|4(3H)-Quinazolinone, 3-(5-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-2-methylphenyl)-2-methyl-, hydrate|3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methylphenyl]-2-methylquinazolin-4-one hydrate|3-[5-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-2-methylphenyl]-2-methylquinazolin-4(3H)-one--water (1/1)

Molecular Formula	C27H31N3O4
Molecular Weight	461.23145 g/mol
LogP	3.53
Topological Polar Surface Area	96.88 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	461.23145
Heavy Atoms	34
Complexity	1347.8

Chemical Identifiers

CAS Number	74101-76-1
SMILES	CC1=C(C=C(C=C1)CNCCC2=CC(=C(C=C2)OC)OC)N3C(=NC4=CC=CC=C4C3=O)C.O