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

C24H26N2O3S — CID 20865433

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

5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20865433) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
• PubChem CID: 20865433
• Molecular Formula: C24H26N2O3S
• Molecular Weight: 422.55 g/mol
• Exact Mass: 422.17
• IUPAC Name: 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
• SMILES: CCn1c(=O)c2cc(C(=O)N(CCC(C)C)Cc3ccco3)sc2c2ccccc21
• InChI: InChI=1S/C24H26N2O3S/c1-4-26-20-10-6-5-9-18(20)22-19(23(26)27)14-21(30-22)24(28)25(12-11-16(2)3)15-17-8-7-13-29-17/h5-10,13-14,16H,4,11-12,15H2,1-3H3
• InChIKey: AQJLVWHBUIGTMO-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 55.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.55
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?

The IUPAC name of 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 20865433) is 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide.

What is the SMILES notation for 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?

The canonical SMILES for 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)N(CCC(C)C)Cc3ccco3)sc2c2ccccc21.

What is the InChIKey of 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?

The InChIKey is AQJLVWHBUIGTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-4-26-20-10-6-5-9-18(20)22-19(23(26)27)14-21(30-22)24(28)25(12-11-16(2)3)15-17-8-7-13-29-17/h5-10,13-14,16H,4,11-12,15H2,1-3H3.

What are the key properties of 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?

5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-(furan-2-ylmethyl)-N-(3-methylbutyl)-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).