5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid

C17H13NO4 — CID 91555555

IUPAC5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
SMILESCOc1cccc2[nH]c(-c3ccccc3)c(C(=O)O)c(=O)c12
InChIInChI=1S/C17H13NO4/c1-22-12-9-5-8-11-13(12)16(19)14(17(20)21)15(18-11)10-6-3-2-4-7-10/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyIFOCNSUQZBWZJL-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.90
Rot. Bonds3

About 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid

5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid (PubChem CID 91555555) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
PubChem CID91555555
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
SMILESCOc1cccc2[nH]c(-c3ccccc3)c(C(=O)O)c(=O)c12
InChIInChI=1S/C17H13NO4/c1-22-12-9-5-8-11-13(12)16(19)14(17(20)21)15(18-11)10-6-3-2-4-7-10/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyIFOCNSUQZBWZJL-UHFFFAOYSA-N
XLogP2.90
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344
4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 68862785
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
3-acetyl-5-methoxy-2-methylsulfanyl-1H-quinolin-4-one
CID 164884874
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
3-methoxy-2-phenyl-1H-indol-4-ol
CID 3024283
8-methoxy-3-methyl-2-phenyl-1H-quinolin-4-one
CID 104845886
4-methoxy-10H-indolo[3,2-b]quinoline-11-carboxylic acid
CID 10493837
3-hydroxy-6,7-dimethoxy-2-phenyl-1H-quinolin-4-one
CID 15459134
ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
CID 138982192
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid (CID 91555555) is 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid is COc1cccc2[nH]c(-c3ccccc3)c(C(=O)O)c(=O)c12.
What is the InChIKey of 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid?
The InChIKey is IFOCNSUQZBWZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-22-12-9-5-8-11-13(12)16(19)14(17(20)21)15(18-11)10-6-3-2-4-7-10/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid?
5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 91555555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).