BAS 00416405,ST5228769,EU-0035272,AG-690/10517006,4-(2-Butoxy-phenyl)-

[Synonyms]
BAS 00416405
ST5228769
EU-0035272
AG-690/10517006
4-(2-Butoxy-phenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

[Structure]

[ Properties Computed from Structure]

Molecular Weight	345.43422 [g/mol]
Molecular Formula	C23H23NO2
XLogP	5
H-Bond Donor	1
H-Bond Acceptor	2
Rotatable Bond Count	5
Tautomer Count	2
Exact Mass	345.172879
MonoIsotopic Mass	345.172879
Topological Polar Surface Area	38.3
Heavy Atom Count	26
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	1
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: 4-(2-butoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
Canonical SMILES: CCCCOC1=CC=CC=C1C2CC(=O)NC3=C2C=CC4=CC=CC=C43
InChI: InChI=1/C23H23NO2/c1-2-3-14-26-21-11-7-6-10-18(21)20-15-22(25)24-23-17-
9-5-4-8-16(17)12-13-19(20)23/h4-13,20H,2-3,14-15H2,1H3,(H,24,25)/f/h24H