3-benzyl-4-hydroxy-1-methylquinolin-2-one

C17H15NO2 — CID 54705756

IUPAC3-benzyl-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-18-15-10-6-5-9-13(15)16(19)14(17(18)20)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyOHIJOFZMPLWASO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.83
Rot. Bonds2

About 3-benzyl-4-hydroxy-1-methylquinolin-2-one

3-benzyl-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54705756) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1-methylquinolin-2-one
PubChem CID54705756
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-benzyl-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-18-15-10-6-5-9-13(15)16(19)14(17(18)20)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyOHIJOFZMPLWASO-UHFFFAOYSA-N
XLogP2.83
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Roquinimex
CID 54676478
4-Hydroxy-N-methylcarbostyril
CID 54686436
Paquinimod
CID 54684617
Benzoic acid, 2-((acetylmethyl)amino)-
CID 793024
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
Zanthobisquinolone
CID 54688597
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
3-Benzylquinoline-2,4-diol
CID 54680363
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
3-Quinolinecarboxamide, 1,2-dihydro-N-ethyl-4-hydroxy-2-oxo-
CID 54680440
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1-methylquinolin-2-one (CID 54705756) is 3-benzyl-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 3-benzyl-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is OHIJOFZMPLWASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-15-10-6-5-9-13(15)16(19)14(17(18)20)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3.
What are the key properties of 3-benzyl-4-hydroxy-1-methylquinolin-2-one?
3-benzyl-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 265.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54705756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).