2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid

C17H12ClNO3 — CID 14498165

IUPAC2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1
InChIInChI=1S/C17H12ClNO3/c1-9-2-7-13-12(8-9)14(17(21)22)16(20)15(19-13)10-3-5-11(18)6-4-10/h2-8,20H,1H3,(H,21,22)
InChIKeyQHMJCDFQOVJTNL-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.27
Rot. Bonds2

About 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid

2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid (PubChem CID 14498165) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid
PubChem CID14498165
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1
InChIInChI=1S/C17H12ClNO3/c1-9-2-7-13-12(8-9)14(17(21)22)16(20)15(19-13)10-3-5-11(18)6-4-10/h2-8,20H,1H3,(H,21,22)
InChIKeyQHMJCDFQOVJTNL-UHFFFAOYSA-N
XLogP4.27
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid (CID 14498165) is 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid?
The InChIKey is QHMJCDFQOVJTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-9-2-7-13-12(8-9)14(17(21)22)16(20)15(19-13)10-3-5-11(18)6-4-10/h2-8,20H,1H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid?
2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 14498165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).