2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid

C16H10ClNO3 — CID 13421614

IUPAC2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccccc3Cl)cc(=O)c2c1
InChIInChI=1S/C16H10ClNO3/c17-12-4-2-1-3-10(12)14-8-15(19)11-7-9(16(20)21)5-6-13(11)18-14/h1-8H,(H,18,19)(H,20,21)
InChIKeyNCGOOOGFJIRVFI-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.55
Rot. Bonds2

About 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid

2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid (PubChem CID 13421614) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
PubChem CID13421614
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccccc3Cl)cc(=O)c2c1
InChIInChI=1S/C16H10ClNO3/c17-12-4-2-1-3-10(12)14-8-15(19)11-7-9(16(20)21)5-6-13(11)18-14/h1-8H,(H,18,19)(H,20,21)
InChIKeyNCGOOOGFJIRVFI-UHFFFAOYSA-N
XLogP3.55
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid (CID 13421614) is 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(-c3ccccc3Cl)cc(=O)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The InChIKey is NCGOOOGFJIRVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-12-4-2-1-3-10(12)14-8-15(19)11-7-9(16(20)21)5-6-13(11)18-14/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid has a molecular weight of 299.71 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 13421614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).