cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

C23H27N6O2+ — CID 7382742

About cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium

cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 7382742) has the molecular formula C23H27N6O2+ and a molecular weight of 419.51 g/mol. Its IUPAC name is cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

• Compound Name: cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
• PubChem CID: 7382742
• Molecular Formula: C23H27N6O2+
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.22
• IUPAC Name: cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium
• SMILES: Cc1cccc2cc(C[NH+](Cc3nnnn3Cc3ccco3)C3CCCC3)c(=O)[nH]c12
• InChI: InChI=1S/C23H26N6O2/c1-16-6-4-7-17-12-18(23(30)24-22(16)17)13-28(19-8-2-3-9-19)15-21-25-26-27-29(21)14-20-10-5-11-31-20/h4-7,10-12,19H,2-3,8-9,13-15H2,1H3,(H,24,30)/p+1
• InChIKey: KMLISHYMWWATLQ-UHFFFAOYSA-O
• XLogP: 1.99
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The IUPAC name of cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 7382742) is cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium.

What is the SMILES notation for cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The canonical SMILES for cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is Cc1cccc2cc(C[NH+](Cc3nnnn3Cc3ccco3)C3CCCC3)c(=O)[nH]c12.

What is the InChIKey of cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The InChIKey is KMLISHYMWWATLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N6O2/c1-16-6-4-7-17-12-18(23(30)24-22(16)17)13-28(19-8-2-3-9-19)15-21-25-26-27-29(21)14-20-10-5-11-31-20/h4-7,10-12,19H,2-3,8-9,13-15H2,1H3,(H,24,30)/p+1.

What are the key properties of cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium?

cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 419.51 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 7382742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).