3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

C28H41N7O2 — CID 3204658

About 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 3204658) has the molecular formula C28H41N7O2 and a molecular weight of 507.68 g/mol. Its IUPAC name is 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
• PubChem CID: 3204658
• Molecular Formula: C28H41N7O2
• Molecular Weight: 507.68 g/mol
• Exact Mass: 507.33
• IUPAC Name: 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
• SMILES: CCC(c1nnnn1C1CCCC1)N(CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
• InChI: InChI=1S/C28H41N7O2/c1-4-25(27-30-31-32-35(27)24-8-5-6-9-24)34(11-7-10-33-12-14-37-15-13-33)19-23-18-22-17-20(2)16-21(3)26(22)29-28(23)36/h16-18,24-25H,4-15,19H2,1-3H3,(H,29,36)
• InChIKey: XFIDCVOTROFXHA-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 92.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.68
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The IUPAC name of 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 3204658) is 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The canonical SMILES for 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is CCC(c1nnnn1C1CCCC1)N(CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O.

What is the InChIKey of 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The InChIKey is XFIDCVOTROFXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N7O2/c1-4-25(27-30-31-32-35(27)24-8-5-6-9-24)34(11-7-10-33-12-14-37-15-13-33)19-23-18-22-17-20(2)16-21(3)26(22)29-28(23)36/h16-18,24-25H,4-15,19H2,1-3H3,(H,29,36).

What are the key properties of 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 507.68 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3204658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).