(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium

C22H27N6O3+ — CID 7382741

About (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium

(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium (PubChem CID 7382741) has the molecular formula C22H27N6O3+ and a molecular weight of 423.50 g/mol. Its IUPAC name is (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium.

Molecular Properties

• Compound Name: (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium
• PubChem CID: 7382741
• Molecular Formula: C22H27N6O3+
• Molecular Weight: 423.50 g/mol
• Exact Mass: 423.21
• IUPAC Name: (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium
• SMILES: Cc1cc(C)c2[nH]c(=O)c(C[NH+](CCCO)Cc3nnnn3Cc3ccco3)cc2c1
• InChI: InChI=1S/C22H26N6O3/c1-15-9-16(2)21-17(10-15)11-18(22(30)23-21)12-27(6-4-7-29)14-20-24-25-26-28(20)13-19-5-3-8-31-19/h3,5,8-11,29H,4,6-7,12-14H2,1-2H3,(H,23,30)/p+1
• InChIKey: DOFNCJNQVKWXIS-UHFFFAOYSA-O
• XLogP: 0.74
• TPSA: 114.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.50
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium?

The IUPAC name of (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium (CID 7382741) is (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium.

What is the SMILES notation for (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium?

The canonical SMILES for (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium is Cc1cc(C)c2[nH]c(=O)c(C[NH+](CCCO)Cc3nnnn3Cc3ccco3)cc2c1.

What is the InChIKey of (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium?

The InChIKey is DOFNCJNQVKWXIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N6O3/c1-15-9-16(2)21-17(10-15)11-18(22(30)23-21)12-27(6-4-7-29)14-20-24-25-26-28(20)13-19-5-3-8-31-19/h3,5,8-11,29H,4,6-7,12-14H2,1-2H3,(H,23,30)/p+1.

What are the key properties of (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium?

(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium has a molecular weight of 423.50 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-(3-hydroxypropyl)azanium is sourced from PubChem (CID 7382741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).