4-hydroxy-1-methyl-3-phenylquinolin-2-one

C16H13NO2 — CID 54680431

IUPAC4-hydroxy-1-methyl-3-phenylquinolin-2-one
SMILESCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)15(18)14(16(17)19)11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyCLKIYIWKKBDFBS-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.91
Rot. Bonds1

About 4-hydroxy-1-methyl-3-phenylquinolin-2-one

4-hydroxy-1-methyl-3-phenylquinolin-2-one (PubChem CID 54680431) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-phenylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-phenylquinolin-2-one
PubChem CID54680431
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-hydroxy-1-methyl-3-phenylquinolin-2-one
SMILESCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)15(18)14(16(17)19)11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyCLKIYIWKKBDFBS-UHFFFAOYSA-N
XLogP2.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-phenylquinolin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-phenylquinolin-2-one (CID 54680431) is 4-hydroxy-1-methyl-3-phenylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-phenylquinolin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-phenylquinolin-2-one is Cn1c(=O)c(-c2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-3-phenylquinolin-2-one?
The InChIKey is CLKIYIWKKBDFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)15(18)14(16(17)19)11-7-3-2-4-8-11/h2-10,18H,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-phenylquinolin-2-one?
4-hydroxy-1-methyl-3-phenylquinolin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-phenylquinolin-2-one is sourced from PubChem (CID 54680431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).