3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one

C17H14ClNO2 — CID 171484515

IUPAC3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one
SMILESCc1c(Cc2ccc(Cl)cc2)c(=O)c2ccccc2n1O
InChIInChI=1S/C17H14ClNO2/c1-11-15(10-12-6-8-13(18)9-7-12)17(20)14-4-2-3-5-16(14)19(11)21/h2-9,21H,10H2,1H3
InChIKeyYLAQMMYWMFBSBV-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.79
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one

3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one (PubChem CID 171484515) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one
PubChem CID171484515
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one
SMILESCc1c(Cc2ccc(Cl)cc2)c(=O)c2ccccc2n1O
InChIInChI=1S/C17H14ClNO2/c1-11-15(10-12-6-8-13(18)9-7-12)17(20)14-4-2-3-5-16(14)19(11)21/h2-9,21H,10H2,1H3
InChIKeyYLAQMMYWMFBSBV-UHFFFAOYSA-N
XLogP3.79
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one (CID 171484515) is 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one is Cc1c(Cc2ccc(Cl)cc2)c(=O)c2ccccc2n1O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one?
The InChIKey is YLAQMMYWMFBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-11-15(10-12-6-8-13(18)9-7-12)17(20)14-4-2-3-5-16(14)19(11)21/h2-9,21H,10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one?
3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one has a molecular weight of 299.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-hydroxy-2-methylquinolin-4-one is sourced from PubChem (CID 171484515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).