1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one

C23H21NO3 — CID 142438041

IUPAC1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
SMILESCOC1C(=O)N(Cc2ccccc2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-27-21-22(25)24(16-17-10-4-2-5-11-17)20-15-9-8-14-19(20)23(21,26)18-12-6-3-7-13-18/h2-15,21,26H,16H2,1H3
InChIKeyATFPMSJPWFZXCD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.48
Rot. Bonds4

About 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one

1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one (PubChem CID 142438041) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
PubChem CID142438041
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
SMILESCOC1C(=O)N(Cc2ccccc2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C23H21NO3/c1-27-21-22(25)24(16-17-10-4-2-5-11-17)20-15-9-8-14-19(20)23(21,26)18-12-6-3-7-13-18/h2-15,21,26H,16H2,1H3
InChIKeyATFPMSJPWFZXCD-UHFFFAOYSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 142438079
1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 149248585
1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
1-benzyl-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxyindol-2-one
CID 655041
10-benzyl-9-(2-methylphenyl)acridin-9-ol
CID 16748422
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione
CID 10742140
1-benzyl-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 3150812
3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
CID 71729335
7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 142438066
1-benzyl-4-[(E)-benzylideneamino]-3-methoxy-4-phenylazetidin-2-one
CID 177455712

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The IUPAC name of 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one (CID 142438041) is 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one is COC1C(=O)N(Cc2ccccc2)c2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The InChIKey is ATFPMSJPWFZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-27-21-22(25)24(16-17-10-4-2-5-11-17)20-15-9-8-14-19(20)23(21,26)18-12-6-3-7-13-18/h2-15,21,26H,16H2,1H3.
What are the key properties of 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one is sourced from PubChem (CID 142438041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).