3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one

C24H28N6OS — CID 1170697

About 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one

3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one (PubChem CID 1170697) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
• PubChem CID: 1170697
• Molecular Formula: C24H28N6OS
• Molecular Weight: 448.60 g/mol
• Exact Mass: 448.20
• IUPAC Name: 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
• SMILES: CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C3CCCC3)cc2c1
• InChI: InChI=1S/C24H28N6OS/c1-2-17-9-10-22-18(12-17)13-19(24(31)25-22)14-29(15-21-8-5-11-32-21)16-23-26-27-28-30(23)20-6-3-4-7-20/h5,8-13,20H,2-4,6-7,14-16H2,1H3,(H,25,31)
• InChIKey: CPOKPCGIWFEVGA-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.60
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one?

The IUPAC name of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one (CID 1170697) is 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one?

The canonical SMILES for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C3CCCC3)cc2c1.

What is the InChIKey of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one?

The InChIKey is CPOKPCGIWFEVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-2-17-9-10-22-18(12-17)13-19(24(31)25-22)14-29(15-21-8-5-11-32-21)16-23-26-27-28-30(23)20-6-3-4-7-20/h5,8-13,20H,2-4,6-7,14-16H2,1H3,(H,25,31).

What are the key properties of 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one?

3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one has a molecular weight of 448.60 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(1-cyclopentyltetrazol-5-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 1170697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).