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

C27H34N6O2 — CID 3204148

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

3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3204148) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
• PubChem CID: 3204148
• Molecular Formula: C27H34N6O2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.27
• IUPAC Name: 3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
• SMILES: CCCC(c1nnnn1Cc1ccco1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1
• InChI: InChI=1S/C27H34N6O2/c1-3-8-25(26-29-30-31-33(26)18-23-11-7-14-35-23)32(22-9-5-4-6-10-22)17-21-16-20-15-19(2)12-13-24(20)28-27(21)34/h7,11-16,22,25H,3-6,8-10,17-18H2,1-2H3,(H,28,34)
• InChIKey: ZLFHBEYJKTYQAD-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 92.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one (CID 3204148) is 3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one.

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

The canonical SMILES for 3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one is CCCC(c1nnnn1Cc1ccco1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1.

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

The InChIKey is ZLFHBEYJKTYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-3-8-25(26-29-30-31-33(26)18-23-11-7-14-35-23)32(22-9-5-4-6-10-22)17-21-16-20-15-19(2)12-13-24(20)28-27(21)34/h7,11-16,22,25H,3-6,8-10,17-18H2,1-2H3,(H,28,34).

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

3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 474.61 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[cyclohexyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3204148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).