3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one

C24H23NO2 — CID 90677370

IUPAC3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one
SMILESCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)C(O)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-25-21-15-9-8-14-20(21)22(26)24(23(25)27,16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-15,22,26H,16-17H2,1H3
InChIKeyCJFCYSLHIHOZLA-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.17
Rot. Bonds4

About 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one

3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one (PubChem CID 90677370) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one.

Molecular Properties

Compound Name3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one
PubChem CID90677370
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one
SMILESCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)C(O)c2ccccc21
InChIInChI=1S/C24H23NO2/c1-25-21-15-9-8-14-20(21)22(26)24(23(25)27,16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-15,22,26H,16-17H2,1H3
InChIKeyCJFCYSLHIHOZLA-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Adamantan-1-yl)(4-methoxy-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 71559417
Adamantan-1-yl-(4-ethoxy-3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 71559418
1,3-dibenzyl-4-hydroxyquinolin-2(1H)-one
CID 54687622
4-Hydroxy-1,3,3-trimethyl-3,4-dihydroquinolin-2(1H)-one
CID 103762
1-(4-Hydroxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CID 64312900
6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one
CID 162368342
4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one
CID 54687020
3,3-Dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677361
3,3-Dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677362
3,3-Dibenzyl-6-chloro-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677363
3,3-Dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one
CID 90677365
3,3-Bis[(4-chlorophenyl)methyl]-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677368

Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one?
The IUPAC name of 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one (CID 90677370) is 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one.
What is the SMILES notation for 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one?
The canonical SMILES for 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one is CN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)C(O)c2ccccc21.
What is the InChIKey of 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one?
The InChIKey is CJFCYSLHIHOZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-25-21-15-9-8-14-20(21)22(26)24(23(25)27,16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-15,22,26H,16-17H2,1H3.
What are the key properties of 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one?
3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one has a molecular weight of 357.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-4-hydroxy-1-methyl-4H-quinolin-2-one is sourced from PubChem (CID 90677370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).