2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid

C15H10N2O4 — CID 142731573

IUPAC2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n(C(=O)C2C=CC=N2)c1=O
InChIInChI=1S/C15H10N2O4/c18-13-10(15(20)21)8-9-4-1-2-6-12(9)17(13)14(19)11-5-3-7-16-11/h1-8,11H,(H,20,21)
InChIKeyVCCPOXLEQSJRTR-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.35
Rot. Bonds2

About 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid

2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid (PubChem CID 142731573) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid
PubChem CID142731573
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n(C(=O)C2C=CC=N2)c1=O
InChIInChI=1S/C15H10N2O4/c18-13-10(15(20)21)8-9-4-1-2-6-12(9)17(13)14(19)11-5-3-7-16-11/h1-8,11H,(H,20,21)
InChIKeyVCCPOXLEQSJRTR-UHFFFAOYSA-N
XLogP1.35
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid
CID 142731852
1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731690
1-(4-cyanobenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731962
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
1-[2-(4-iodophenyl)ethyl]-2-oxoquinoline-3-carboxylic acid
CID 142731743
3-acetyl-1-aminoquinolin-2-one
CID 166438686
1-fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
10-methyl-1-oxoacridine-2-carboxylic acid
CID 56609298
5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid
CID 58857060
1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid
CID 11299201
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid (CID 142731573) is 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2n(C(=O)C2C=CC=N2)c1=O.
What is the InChIKey of 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid?
The InChIKey is VCCPOXLEQSJRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-10(15(20)21)8-9-4-1-2-6-12(9)17(13)14(19)11-5-3-7-16-11/h1-8,11H,(H,20,21).
What are the key properties of 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid?
2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 142731573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).