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

C29H32N6O2 — CID 3199214

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

6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 3199214) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
• PubChem CID: 3199214
• Molecular Formula: C29H32N6O2
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.26
• IUPAC Name: 6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
• SMILES: CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(CC)c3nnnn3Cc3ccco3)cc2c1
• InChI: InChI=1S/C29H32N6O2/c1-4-21-12-13-26-23(15-21)16-24(29(36)30-26)18-34(17-22-10-8-20(3)9-11-22)27(5-2)28-31-32-33-35(28)19-25-7-6-14-37-25/h6-16,27H,4-5,17-19H2,1-3H3,(H,30,36)
• InChIKey: YHOZGPXAUJWDPP-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 92.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one (CID 3199214) is 6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one.

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

The canonical SMILES for 6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(CC)c3nnnn3Cc3ccco3)cc2c1.

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

The InChIKey is YHOZGPXAUJWDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-4-21-12-13-26-23(15-21)16-24(29(36)30-26)18-34(17-22-10-8-20(3)9-11-22)27(5-2)28-31-32-33-35(28)19-25-7-6-14-37-25/h6-16,27H,4-5,17-19H2,1-3H3,(H,30,36).

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

6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 496.62 g/mol, XLogP of 5.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3199214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).