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

C17H11ClN2O4 — CID 10831196

IUPAC2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H11ClN2O4/c18-10-6-7-11-12(8-10)19-15(21)13(9-4-2-1-3-5-9)14(11)20-16(22)17(23)24/h1-8H,(H,23,24)(H2,19,20,21,22)
InChIKeyPDRYKDAGURAZEQ-UHFFFAOYSA-N
MW342.74 g/mol
LogP2.87
Rot. Bonds2

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

2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid (PubChem CID 10831196) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid
PubChem CID10831196
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC Name2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H11ClN2O4/c18-10-6-7-11-12(8-10)19-15(21)13(9-4-2-1-3-5-9)14(11)20-16(22)17(23)24/h1-8H,(H,23,24)(H2,19,20,21,22)
InChIKeyPDRYKDAGURAZEQ-UHFFFAOYSA-N
XLogP2.87
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid (CID 10831196) is 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid is O=C(O)C(=O)Nc1c(-c2ccccc2)c(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid?
The InChIKey is PDRYKDAGURAZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-10-6-7-11-12(8-10)19-15(21)13(9-4-2-1-3-5-9)14(11)20-16(22)17(23)24/h1-8H,(H,23,24)(H2,19,20,21,22).
What are the key properties of 2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid?
2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-2-oxoacetic acid has a molecular weight of 342.74 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 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)amino]-2-oxoacetic acid is sourced from PubChem (CID 10831196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).