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

7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
CID 169084287
8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 90673417
4-hydroxy-3,8-diphenyl-1H-quinolin-2-one
CID 54705759
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347
7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 63376863
5-(4-chlorophenyl)-8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid;8-hydroxy-4-oxo-5-phenyl-1H-quinoline-2-carboxylic acid;8-hydroxy-4-oxo-6-phenyl-1H-quinoline-2-carboxylic acid
CID 161488647
1H-benzo[g]indole-2-carboxylic acid
CID 645288
4-oxo-8-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinoline-2-carboxylic acid
CID 53481609
2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one
CID 122565989
7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid
CID 171663125
6-chloro-4-phenyl-1H-indole-2-carboxylic acid
CID 135358555
8-bromo-4-phenyl-1H-quinolin-2-one
CID 43322930

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).