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

C16H11NO3 — CID 13421595

IUPAC4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C16H11NO3/c18-15-9-14(10-4-2-1-3-5-10)17-13-7-6-11(16(19)20)8-12(13)15/h1-9H,(H,17,18)(H,19,20)
InChIKeyMDNVIERJIAHIIH-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.89
Rot. Bonds2

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

4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid (PubChem CID 13421595) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid
PubChem CID13421595
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
InChIInChI=1S/C16H11NO3/c18-15-9-14(10-4-2-1-3-5-10)17-13-7-6-11(16(19)20)8-12(13)15/h1-9H,(H,17,18)(H,19,20)
InChIKeyMDNVIERJIAHIIH-UHFFFAOYSA-N
XLogP2.89
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid?
The IUPAC name of 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid (CID 13421595) is 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1.
What is the InChIKey of 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid?
The InChIKey is MDNVIERJIAHIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15-9-14(10-4-2-1-3-5-10)17-13-7-6-11(16(19)20)8-12(13)15/h1-9H,(H,17,18)(H,19,20).
What are the key properties of 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid?
4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 13421595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).