cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium

C22H31N6O2+ — CID 7382645

About cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium

cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium (PubChem CID 7382645) has the molecular formula C22H31N6O2+ and a molecular weight of 411.53 g/mol. Its IUPAC name is cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium.

Molecular Properties

• Compound Name: cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium
• PubChem CID: 7382645
• Molecular Formula: C22H31N6O2+
• Molecular Weight: 411.53 g/mol
• Exact Mass: 411.25
• IUPAC Name: cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium
• SMILES: COCCn1nnnc1C[NH+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1
• InChI: InChI=1S/C22H30N6O2/c1-15-8-9-16(2)21-19(15)12-17(22(29)23-21)13-27(18-6-4-5-7-18)14-20-24-25-26-28(20)10-11-30-3/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,23,29)/p+1
• InChIKey: VBWDAALNOSTPIC-UHFFFAOYSA-O
• XLogP: 1.31
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.53
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium (CID 7382645) is cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium.

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

The canonical SMILES for cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium is COCCn1nnnc1C[NH+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1.

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

The InChIKey is VBWDAALNOSTPIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H30N6O2/c1-15-8-9-16(2)21-19(15)12-17(22(29)23-21)13-27(18-6-4-5-7-18)14-20-24-25-26-28(20)10-11-30-3/h8-9,12,18H,4-7,10-11,13-14H2,1-3H3,(H,23,29)/p+1.

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

cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium has a molecular weight of 411.53 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]azanium is sourced from PubChem (CID 7382645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).