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

C17H13NO3 — CID 135432569

IUPAC3-benzoyl-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C17H13NO3/c1-18-13-10-6-5-9-12(13)16(20)14(17(18)21)15(19)11-7-3-2-4-8-11/h2-10,20H,1H3
InChIKeyODRLTBZNZNZPAP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.48
Rot. Bonds2

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

3-benzoyl-4-hydroxy-1-methylquinolin-2-one (PubChem CID 135432569) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-benzoyl-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-benzoyl-4-hydroxy-1-methylquinolin-2-one
PubChem CID135432569
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-benzoyl-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C17H13NO3/c1-18-13-10-6-5-9-12(13)16(20)14(17(18)21)15(19)11-7-3-2-4-8-11/h2-10,20H,1H3
InChIKeyODRLTBZNZNZPAP-UHFFFAOYSA-N
XLogP2.48
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-benzoyl-4-hydroxy-1-methylquinolin-2-one (CID 135432569) is 3-benzoyl-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-benzoyl-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-benzoyl-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(C(=O)c2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 3-benzoyl-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is ODRLTBZNZNZPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-18-13-10-6-5-9-12(13)16(20)14(17(18)21)15(19)11-7-3-2-4-8-11/h2-10,20H,1H3.
What are the key properties of 3-benzoyl-4-hydroxy-1-methylquinolin-2-one?
3-benzoyl-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 279.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 135432569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).