N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane

C26H33N5O4S — CID 157410626

About N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane

N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane (PubChem CID 157410626) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane.

Molecular Properties

• Compound Name: N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane
• PubChem CID: 157410626
• Molecular Formula: C26H33N5O4S
• Molecular Weight: 511.65 g/mol
• Exact Mass: 511.23
• IUPAC Name: N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane
• SMILES: C.Cn1c(=O)c2c(OCCN3CCOCC3)c(C(=O)NCCCn3ccnc3)sc2c2ccccc21
• InChI: InChI=1S/C25H29N5O4S.CH4/c1-28-19-6-3-2-5-18(19)22-20(25(28)32)21(34-16-13-29-11-14-33-15-12-29)23(35-22)24(31)27-7-4-9-30-10-8-26-17-30;/h2-3,5-6,8,10,17H,4,7,9,11-16H2,1H3,(H,27,31);1H4
• InChIKey: BOFZWOPHJKSVGK-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 90.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.65
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane?

The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane (CID 157410626) is N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane.

What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane?

The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane is C.Cn1c(=O)c2c(OCCN3CCOCC3)c(C(=O)NCCCn3ccnc3)sc2c2ccccc21.

What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane?

The InChIKey is BOFZWOPHJKSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S.CH4/c1-28-19-6-3-2-5-18(19)22-20(25(28)32)21(34-16-13-29-11-14-33-15-12-29)23(35-22)24(31)27-7-4-9-30-10-8-26-17-30;/h2-3,5-6,8,10,17H,4,7,9,11-16H2,1H3,(H,27,31);1H4.

What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane?

N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane has a molecular weight of 511.65 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane is sourced from PubChem (CID 157410626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).