[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium

C20H23N6O4+ — CID 7382665

About [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium

[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 7382665) has the molecular formula C20H23N6O4+ and a molecular weight of 411.44 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

• Compound Name: [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
• PubChem CID: 7382665
• Molecular Formula: C20H23N6O4+
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.18
• IUPAC Name: [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
• SMILES: COc1ccc2[nH]c(=O)c(C[NH+](CCO)Cc3nnnn3Cc3ccco3)cc2c1
• InChI: InChI=1S/C20H22N6O4/c1-29-16-4-5-18-14(10-16)9-15(20(28)21-18)11-25(6-7-27)13-19-22-23-24-26(19)12-17-3-2-8-30-17/h2-5,8-10,27H,6-7,11-13H2,1H3,(H,21,28)/p+1
• InChIKey: FNXZIKJYXSLNES-UHFFFAOYSA-O
• XLogP: -0.26
• TPSA: 123.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.44
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The IUPAC name of [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 7382665) is [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium.

What is the SMILES notation for [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The canonical SMILES for [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium is COc1ccc2[nH]c(=O)c(C[NH+](CCO)Cc3nnnn3Cc3ccco3)cc2c1.

What is the InChIKey of [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium?

The InChIKey is FNXZIKJYXSLNES-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N6O4/c1-29-16-4-5-18-14(10-16)9-15(20(28)21-18)11-25(6-7-27)13-19-22-23-24-26(19)12-17-3-2-8-30-17/h2-5,8-10,27H,6-7,11-13H2,1H3,(H,21,28)/p+1.

What are the key properties of [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium?

[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 411.44 g/mol, XLogP of -0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 7382665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).