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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).