6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one

C24H27N7O3 — CID 3186332

About 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one

6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 3186332) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
• PubChem CID: 3186332
• Molecular Formula: C24H27N7O3
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.22
• IUPAC Name: 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one
• SMILES: COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3CC3CCCO3)cc2c1
• InChI: InChI=1S/C24H27N7O3/c1-33-20-6-7-22-18(11-20)10-19(24(32)26-22)14-30(13-17-4-2-8-25-12-17)16-23-27-28-29-31(23)15-21-5-3-9-34-21/h2,4,6-8,10-12,21H,3,5,9,13-16H2,1H3,(H,26,32)
• InChIKey: GSSMOHLJQARFEA-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 111.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?

The IUPAC name of 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one (CID 3186332) is 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?

The canonical SMILES for 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3CC3CCCO3)cc2c1.

What is the InChIKey of 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?

The InChIKey is GSSMOHLJQARFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-33-20-6-7-22-18(11-20)10-19(24(32)26-22)14-30(13-17-4-2-8-25-12-17)16-23-27-28-29-31(23)15-21-5-3-9-34-21/h2,4,6-8,10-12,21H,3,5,9,13-16H2,1H3,(H,26,32).

What are the key properties of 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one?

6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 461.53 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-3-[[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3186332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).