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

C17H12ClNO2 — CID 874719

IUPAC2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H12ClNO2/c1-10-15(17(20)21)13-7-2-3-8-14(13)19-16(10)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,20,21)
InChIKeyCDRUOLULNFZWLV-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.56
Rot. Bonds2

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

2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid (PubChem CID 874719) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid
PubChem CID874719
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C17H12ClNO2/c1-10-15(17(20)21)13-7-2-3-8-14(13)19-16(10)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,20,21)
InChIKeyCDRUOLULNFZWLV-UHFFFAOYSA-N
XLogP4.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid (CID 874719) is 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid is Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)O.
What is the InChIKey of 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid?
The InChIKey is CDRUOLULNFZWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)13-7-2-3-8-14(13)19-16(10)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,20,21).
What are the key properties of 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid?
2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 874719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).