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

C28H34N6O5 — CID 3187815

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

6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 3187815) has the molecular formula C28H34N6O5 and a molecular weight of 534.62 g/mol. Its IUPAC name is 6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
• PubChem CID: 3187815
• Molecular Formula: C28H34N6O5
• Molecular Weight: 534.62 g/mol
• Exact Mass: 534.26
• IUPAC Name: 6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
• SMILES: CCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N(Cc3ccco3)CC3CCCO3)cc2c1
• InChI: InChI=1S/C28H34N6O5/c1-2-36-20-9-10-25-19(14-20)15-24(28(35)29-25)26(27-30-31-32-34(27)18-23-8-5-13-39-23)33(16-21-6-3-11-37-21)17-22-7-4-12-38-22/h3,6,9-11,14-15,22-23,26H,2,4-5,7-8,12-13,16-18H2,1H3,(H,29,35)
• InChIKey: ZJPUVGJBHWKAGC-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 120.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.62
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 3187815) is 6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

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

The canonical SMILES for 6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N(Cc3ccco3)CC3CCCO3)cc2c1.

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

The InChIKey is ZJPUVGJBHWKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O5/c1-2-36-20-9-10-25-19(14-20)15-24(28(35)29-25)26(27-30-31-32-34(27)18-23-8-5-13-39-23)33(16-21-6-3-11-37-21)17-22-7-4-12-38-22/h3,6,9-11,14-15,22-23,26H,2,4-5,7-8,12-13,16-18H2,1H3,(H,29,35).

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

6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 534.62 g/mol, XLogP of 3.46, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-3-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3187815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).