4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid

C16H11NO4 — CID 54737899

IUPAC4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(-c3ccccc3)c(O)c2c1
InChIInChI=1S/C16H11NO4/c18-14-11-8-10(16(20)21)6-7-12(11)17-15(19)13(14)9-4-2-1-3-5-9/h1-8H,(H,20,21)(H2,17,18,19)
InChIKeyKWULBIHCCVKTRY-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.60
Rot. Bonds2

About 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid

4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid (PubChem CID 54737899) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid
PubChem CID54737899
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(-c3ccccc3)c(O)c2c1
InChIInChI=1S/C16H11NO4/c18-14-11-8-10(16(20)21)6-7-12(11)17-15(19)13(14)9-4-2-1-3-5-9/h1-8H,(H,20,21)(H2,17,18,19)
InChIKeyKWULBIHCCVKTRY-UHFFFAOYSA-N
XLogP2.60
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid?
The IUPAC name of 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid (CID 54737899) is 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)c(-c3ccccc3)c(O)c2c1.
What is the InChIKey of 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid?
The InChIKey is KWULBIHCCVKTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-14-11-8-10(16(20)21)6-7-12(11)17-15(19)13(14)9-4-2-1-3-5-9/h1-8H,(H,20,21)(H2,17,18,19).
What are the key properties of 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid?
4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 54737899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).