1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one

C23H20BrNO3 — CID 142438079

IUPAC1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
SMILESCOC1C(=O)N(Cc2ccc(Br)cc2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C23H20BrNO3/c1-28-21-22(26)25(15-16-11-13-18(24)14-12-16)20-10-6-5-9-19(20)23(21,27)17-7-3-2-4-8-17/h2-14,21,27H,15H2,1H3
InChIKeyHEIKRAFDJFNDIB-UHFFFAOYSA-N
MW438.32 g/mol
LogP4.25
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one

1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one (PubChem CID 142438079) has the molecular formula C23H20BrNO3 and a molecular weight of 438.32 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
PubChem CID142438079
Molecular FormulaC23H20BrNO3
Molecular Weight438.32 g/mol
Exact Mass437.06
IUPAC Name1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
SMILESCOC1C(=O)N(Cc2ccc(Br)cc2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C23H20BrNO3/c1-28-21-22(26)25(15-16-11-13-18(24)14-12-16)20-10-6-5-9-19(20)23(21,27)17-7-3-2-4-8-17/h2-14,21,27H,15H2,1H3
InChIKeyHEIKRAFDJFNDIB-UHFFFAOYSA-N
XLogP4.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 142438041
1-ethyl-4,6-dihydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 149248585
(3R)-1-benzyl-3-[(4-bromophenyl)methyl]-3-(N-hydroxyanilino)indol-2-one
CID 56934764
(3R)-1-[(4-bromophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425799
1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
CID 71729335
(1S,2S,3S)-1'-benzyl-3-(4-bromophenyl)-1-(2,2-dimethylpropanoyl)-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
CID 132544009
7-(fluoromethyl)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
CID 142438066
1,3-dibenzyl-3-(2-methoxyphenyl)indol-2-one
CID 101480098
1-benzyl-5-bromo-3-hydroxy-3-(hydroxymethyl)indol-2-one
CID 102334862
1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299
1-benzyl-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxyindol-2-one
CID 655041

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one (CID 142438079) is 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one is COC1C(=O)N(Cc2ccc(Br)cc2)c2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
The InChIKey is HEIKRAFDJFNDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO3/c1-28-21-22(26)25(15-16-11-13-18(24)14-12-16)20-10-6-5-9-19(20)23(21,27)17-7-3-2-4-8-17/h2-14,21,27H,15H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one?
1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one has a molecular weight of 438.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one is sourced from PubChem (CID 142438079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).