1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid

C19H15NO4 — CID 142731690

IUPAC1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid
SMILESCCc1ccc(C(=O)n2c(=O)c(C(=O)O)cc3ccccc32)cc1
InChIInChI=1S/C19H15NO4/c1-2-12-7-9-13(10-8-12)17(21)20-16-6-4-3-5-14(16)11-15(18(20)22)19(23)24/h3-11H,2H2,1H3,(H,23,24)
InChIKeyBSQZQLUJNYSBFA-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.95
Rot. Bonds3

About 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid

1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid (PubChem CID 142731690) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid
PubChem CID142731690
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid
SMILESCCc1ccc(C(=O)n2c(=O)c(C(=O)O)cc3ccccc32)cc1
InChIInChI=1S/C19H15NO4/c1-2-12-7-9-13(10-8-12)17(21)20-16-6-4-3-5-14(16)11-15(18(20)22)19(23)24/h3-11H,2H2,1H3,(H,23,24)
InChIKeyBSQZQLUJNYSBFA-UHFFFAOYSA-N
XLogP2.95
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanobenzoyl)-2-oxoquinoline-3-carboxylic acid
CID 142731962
N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-2-oxoquinoline-3-carboxamide
CID 118001743
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
1-(2,3-dihydro-1H-indene-2-carbonyl)-2-oxoquinoline-3-carboxylic acid
CID 142731852
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
N-[4-(hydroxymethyl)phenyl]-N-methyl-2-oxo-1-(4-pyrazol-1-ylbenzoyl)quinoline-3-carboxamide
CID 142731810
1-[2-(4-iodophenyl)ethyl]-2-oxoquinoline-3-carboxylic acid
CID 142731743
N-[2-(4-ethylphenyl)ethyl]-1-[2-(4-formylphenyl)acetyl]-2-oxoquinoline-3-carboxamide
CID 118001876
2-oxo-1-(2H-pyrrole-2-carbonyl)quinoline-3-carboxylic acid
CID 142731573
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466
N'-(4-ethylbenzoyl)-1-methylindole-2-carbohydrazide
CID 55876077
N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
CID 118001820

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid (CID 142731690) is 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid is CCc1ccc(C(=O)n2c(=O)c(C(=O)O)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid?
The InChIKey is BSQZQLUJNYSBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-12-7-9-13(10-8-12)17(21)20-16-6-4-3-5-14(16)11-15(18(20)22)19(23)24/h3-11H,2H2,1H3,(H,23,24).
What are the key properties of 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid?
1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylbenzoyl)-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 142731690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).