2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid

C17H12ClNO4 — CID 10544360

IUPAC2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid
SMILESO=C(O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H12ClNO4/c18-11-6-7-12-13(8-11)19-17(22)15(10-4-2-1-3-5-10)16(12)23-9-14(20)21/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyHVMADJMXQDCFJE-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.31
Rot. Bonds4

About 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid

2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid (PubChem CID 10544360) has the molecular formula C17H12ClNO4 and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid
PubChem CID10544360
Molecular FormulaC17H12ClNO4
Molecular Weight329.74 g/mol
Exact Mass329.05
IUPAC Name2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid
SMILESO=C(O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H12ClNO4/c18-11-6-7-12-13(8-11)19-17(22)15(10-4-2-1-3-5-10)16(12)23-9-14(20)21/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyHVMADJMXQDCFJE-UHFFFAOYSA-N
XLogP3.31
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic 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-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid?
The IUPAC name of 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid (CID 10544360) is 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid?
The canonical SMILES for 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid is O=C(O)COc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid?
The InChIKey is HVMADJMXQDCFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4/c18-11-6-7-12-13(8-11)19-17(22)15(10-4-2-1-3-5-10)16(12)23-9-14(20)21/h1-8H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid?
2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid has a molecular weight of 329.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetic acid is sourced from PubChem (CID 10544360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).