6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide

C17H22N2O3 — CID 18473151

IUPAC6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc2[nH]cc(C(=O)NCCC(C)C)c(=O)c2c1
InChIInChI=1S/C17H22N2O3/c1-4-22-12-5-6-15-13(9-12)16(20)14(10-19-15)17(21)18-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXLGHCMIDJPFQTK-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.70
Rot. Bonds6

About 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide

6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 18473151) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID18473151
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc2[nH]cc(C(=O)NCCC(C)C)c(=O)c2c1
InChIInChI=1S/C17H22N2O3/c1-4-22-12-5-6-15-13(9-12)16(20)14(10-19-15)17(21)18-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXLGHCMIDJPFQTK-UHFFFAOYSA-N
XLogP2.70
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-ethoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl-diethylazanium
CID 7391284
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3522692
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 15999163
2-(5-methoxy-1H-indol-3-yl)-N-(3-methylbutyl)-2-oxoacetamide
CID 113208428
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide (CID 18473151) is 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccc2[nH]cc(C(=O)NCCC(C)C)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XLGHCMIDJPFQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-22-12-5-6-15-13(9-12)16(20)14(10-19-15)17(21)18-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18473151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).