2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid

C16H9Cl2NO3 — CID 13421630

IUPAC2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)cc(=O)c2c1
InChIInChI=1S/C16H9Cl2NO3/c17-11-3-1-8(6-12(11)18)14-7-15(20)10-5-9(16(21)22)2-4-13(10)19-14/h1-7H,(H,19,20)(H,21,22)
InChIKeyFUPMXOVOSHECNQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.20
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid

2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid (PubChem CID 13421630) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
PubChem CID13421630
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)cc(=O)c2c1
InChIInChI=1S/C16H9Cl2NO3/c17-11-3-1-8(6-12(11)18)14-7-15(20)10-5-9(16(21)22)2-4-13(10)19-14/h1-7H,(H,19,20)(H,21,22)
InChIKeyFUPMXOVOSHECNQ-UHFFFAOYSA-N
XLogP4.20
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid (CID 13421630) is 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)cc(=O)c2c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The InChIKey is FUPMXOVOSHECNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-11-3-1-8(6-12(11)18)14-7-15(20)10-5-9(16(21)22)2-4-13(10)19-14/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid has a molecular weight of 334.16 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 13421630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).