3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride

C27H28ClN3O4S — CID 162323075

About 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride

3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride (PubChem CID 162323075) has the molecular formula C27H28ClN3O4S and a molecular weight of 526.06 g/mol. Its IUPAC name is 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride
• PubChem CID: 162323075
• Molecular Formula: C27H28ClN3O4S
• Molecular Weight: 526.06 g/mol
• Exact Mass: 525.15
• IUPAC Name: 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride
• SMILES: COc1c(C(=O)NCCC2CCCN2)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.Cl
• InChI: InChI=1S/C27H27N3O4S.ClH/c1-34-23-22-24(35-25(23)26(32)29-15-13-18-10-7-14-28-18)19-11-5-6-12-20(19)30(27(22)33)16-21(31)17-8-3-2-4-9-17;/h2-6,8-9,11-12,18,28H,7,10,13-16H2,1H3,(H,29,32);1H
• InChIKey: PSDGTYGVDBYHJW-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 89.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.06
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride?

The IUPAC name of 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride (CID 162323075) is 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride.

What is the SMILES notation for 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride?

The canonical SMILES for 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride is COc1c(C(=O)NCCC2CCCN2)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.Cl.

What is the InChIKey of 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride?

The InChIKey is PSDGTYGVDBYHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S.ClH/c1-34-23-22-24(35-25(23)26(32)29-15-13-18-10-7-14-28-18)19-11-5-6-12-20(19)30(27(22)33)16-21(31)17-8-3-2-4-9-17;/h2-6,8-9,11-12,18,28H,7,10,13-16H2,1H3,(H,29,32);1H.

What are the key properties of 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride?

3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride has a molecular weight of 526.06 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride is sourced from PubChem (CID 162323075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).