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

C26H32N6O4 — CID 3203100

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

3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 3203100) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
• PubChem CID: 3203100
• Molecular Formula: C26H32N6O4
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.25
• IUPAC Name: 3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
• SMILES: COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(c3nnnn3Cc3ccco3)C(C)C)cc2c1
• InChI: InChI=1S/C26H32N6O4/c1-17(2)24(25-28-29-30-32(25)16-22-7-5-11-36-22)31(15-21-6-4-10-35-21)14-19-12-18-13-20(34-3)8-9-23(18)27-26(19)33/h5,7-9,11-13,17,21,24H,4,6,10,14-16H2,1-3H3,(H,27,33)
• InChIKey: QKUZLAOKIGLECE-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 111.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one (CID 3203100) is 3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one.

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

The canonical SMILES for 3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(c3nnnn3Cc3ccco3)C(C)C)cc2c1.

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

The InChIKey is QKUZLAOKIGLECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-17(2)24(25-28-29-30-32(25)16-22-7-5-11-36-22)31(15-21-6-4-10-35-21)14-19-12-18-13-20(34-3)8-9-23(18)27-26(19)33/h5,7-9,11-13,17,21,24H,4,6,10,14-16H2,1-3H3,(H,27,33).

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

3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 492.58 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3203100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).