3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

C30H38N6O — CID 3204104

About 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 3204104) has the molecular formula C30H38N6O and a molecular weight of 498.68 g/mol. Its IUPAC name is 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
• PubChem CID: 3204104
• Molecular Formula: C30H38N6O
• Molecular Weight: 498.68 g/mol
• Exact Mass: 498.31
• IUPAC Name: 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
• SMILES: CCCC(c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1
• InChI: InChI=1S/C30H38N6O/c1-4-10-27(29-32-33-34-36(29)16-15-23-11-6-5-7-12-23)35(26-13-8-9-14-26)20-25-19-24-18-21(2)17-22(3)28(24)31-30(25)37/h5-7,11-12,17-19,26-27H,4,8-10,13-16,20H2,1-3H3,(H,31,37)
• InChIKey: QZFZWNILDMXKEF-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.68
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The IUPAC name of 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 3204104) is 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The canonical SMILES for 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is CCCC(c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1.

What is the InChIKey of 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

The InChIKey is QZFZWNILDMXKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O/c1-4-10-27(29-32-33-34-36(29)16-15-23-11-6-5-7-12-23)35(26-13-8-9-14-26)20-25-19-24-18-21(2)17-22(3)28(24)31-30(25)37/h5-7,11-12,17-19,26-27H,4,8-10,13-16,20H2,1-3H3,(H,31,37).

What are the key properties of 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?

3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 498.68 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3204104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).