6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one

C29H32N6O4 — CID 3200963

About 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one

6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 3200963) has the molecular formula C29H32N6O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
• PubChem CID: 3200963
• Molecular Formula: C29H32N6O4
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.25
• IUPAC Name: 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one
• SMILES: CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(CC)c3nnnn3Cc3ccco3)cc2c1
• InChI: InChI=1S/C29H32N6O4/c1-4-27(28-31-32-33-35(28)19-25-7-6-14-39-25)34(17-20-8-10-23(37-3)11-9-20)18-22-15-21-16-24(38-5-2)12-13-26(21)30-29(22)36/h6-16,27H,4-5,17-19H2,1-3H3,(H,30,36)
• InChIKey: IHCLVJJDKYOZPI-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 111.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?

The IUPAC name of 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one (CID 3200963) is 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?

The canonical SMILES for 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(CC)c3nnnn3Cc3ccco3)cc2c1.

What is the InChIKey of 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?

The InChIKey is IHCLVJJDKYOZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4/c1-4-27(28-31-32-33-35(28)19-25-7-6-14-39-25)34(17-20-8-10-23(37-3)11-9-20)18-22-15-21-16-24(38-5-2)12-13-26(21)30-29(22)36/h6-16,27H,4-5,17-19H2,1-3H3,(H,30,36).

What are the key properties of 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one?

6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 528.61 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3200963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).