(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium

C26H31N6O3+ — CID 6972374

About (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium

(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium (PubChem CID 6972374) has the molecular formula C26H31N6O3+ and a molecular weight of 475.57 g/mol. Its IUPAC name is (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium.

Molecular Properties

• Compound Name: (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium
• PubChem CID: 6972374
• Molecular Formula: C26H31N6O3+
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.25
• IUPAC Name: (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium
• SMILES: COc1ccc2cc(C[NH+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2c1
• InChI: InChI=1S/C26H30N6O3/c1-34-22-10-9-20-14-21(26(33)27-24(20)15-22)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33)/p+1/t23-/m1/s1
• InChIKey: ISLCRROONXJVSC-HSZRJFAPSA-O
• XLogP: 1.53
• TPSA: 99.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium?

The IUPAC name of (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium (CID 6972374) is (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium.

What is the SMILES notation for (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium?

The canonical SMILES for (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium is COc1ccc2cc(C[NH+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2c1.

What is the InChIKey of (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium?

The InChIKey is ISLCRROONXJVSC-HSZRJFAPSA-O. The full InChI is InChI=1S/C26H30N6O3/c1-34-22-10-9-20-14-21(26(33)27-24(20)15-22)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33)/p+1/t23-/m1/s1.

What are the key properties of (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium?

(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium has a molecular weight of 475.57 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-(2-phenylethyl)azanium is sourced from PubChem (CID 6972374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).