3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one

C27H34N6O2 — CID 3203335

About 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one

3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (PubChem CID 3203335) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
• PubChem CID: 3203335
• Molecular Formula: C27H34N6O2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.27
• IUPAC Name: 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
• SMILES: Cc1cc(C)c2cc(CN(C3CCCC3)C(c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1
• InChI: InChI=1S/C27H34N6O2/c1-17(2)25(26-29-30-31-33(26)16-22-10-7-11-35-22)32(21-8-5-6-9-21)15-20-14-23-19(4)12-18(3)13-24(23)28-27(20)34/h7,10-14,17,21,25H,5-6,8-9,15-16H2,1-4H3,(H,28,34)
• InChIKey: QLMMGPXQJQYFQX-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 92.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?

The IUPAC name of 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (CID 3203335) is 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?

The canonical SMILES for 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2cc(CN(C3CCCC3)C(c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1.

What is the InChIKey of 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?

The InChIKey is QLMMGPXQJQYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-17(2)25(26-29-30-31-33(26)16-22-10-7-11-35-22)32(21-8-5-6-9-21)15-20-14-23-19(4)12-18(3)13-24(23)28-27(20)34/h7,10-14,17,21,25H,5-6,8-9,15-16H2,1-4H3,(H,28,34).

What are the key properties of 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?

3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one has a molecular weight of 474.61 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3203335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).