4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid

C16H11NO3 — CID 63376604

IUPAC4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C16H11NO3/c18-14-9-13(16(19)20)17-15-11(7-4-8-12(14)15)10-5-2-1-3-6-10/h1-9H,(H,17,18)(H,19,20)
InChIKeyHRPLOHRFKVYRQS-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.89
Rot. Bonds2

About 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid

4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid (PubChem CID 63376604) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
PubChem CID63376604
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C16H11NO3/c18-14-9-13(16(19)20)17-15-11(7-4-8-12(14)15)10-5-2-1-3-6-10/h1-9H,(H,17,18)(H,19,20)
InChIKeyHRPLOHRFKVYRQS-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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Related Compounds

Kynurenic Acid
CID 3845
Cridanimod
CID 38072
Bufrolin
CID 72103
Kynurenate
CID 6924655
4-Hydroxy-6-methyl-2-phenylquinoline
CID 730810
4-Hydroxy-5,7-Dimethylquinoline-2-Carboxylic Acid
CID 14842737
10-Methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8-dicarboxylic acid
CID 326869
Methyl 4-Hydroxyquinoline-2-carboxylate
CID 821167
4,10-Dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
CID 12403015
5-Iodo-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
CID 14842715
5-Iodo-7-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
CID 14842739
2-Benzylquinolin-4(1H)-one
CID 121005126

Frequently Asked Questions

What is the IUPAC name of 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid (CID 63376604) is 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cccc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid?
The InChIKey is HRPLOHRFKVYRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14-9-13(16(19)20)17-15-11(7-4-8-12(14)15)10-5-2-1-3-6-10/h1-9H,(H,17,18)(H,19,20).
What are the key properties of 4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid?
4-oxo-8-phenyl-1H-quinoline-2-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-8-phenyl-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 63376604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).