5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide

C19H22N2O2S — CID 20865361

IUPAC5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCCC(C)C)sc2c2ccccc21
InChIInChI=1S/C19H22N2O2S/c1-4-21-15-8-6-5-7-13(15)17-14(19(21)23)11-16(24-17)18(22)20-10-9-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyTVSVGWFELRFEIZ-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.01
Rot. Bonds5

About 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide

5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20865361) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID20865361
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCCC(C)C)sc2c2ccccc21
InChIInChI=1S/C19H22N2O2S/c1-4-21-15-8-6-5-7-13(15)17-14(19(21)23)11-16(24-17)18(22)20-10-9-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyTVSVGWFELRFEIZ-UHFFFAOYSA-N
XLogP4.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
N-[4-(4,10-Dihydro-1-thia-9-aza-benzo[f]azulene-9-carbonyl)-phenyl]-2-methyl-benzamide
CID 15308000
N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857481
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
1-{4-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
CID 1245607
8-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 3570020
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 20865361) is 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)NCCC(C)C)sc2c2ccccc21.
What is the InChIKey of 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is TVSVGWFELRFEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-21-15-8-6-5-7-13(15)17-14(19(21)23)11-16(24-17)18(22)20-10-9-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22).
What are the key properties of 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).