3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one

C24H32N6O — CID 6550895

About 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one

3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 6550895) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
• PubChem CID: 6550895
• Molecular Formula: C24H32N6O
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.26
• IUPAC Name: 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
• SMILES: Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)cc2c1
• InChI: InChI=1S/C24H32N6O/c1-16-10-11-21-18(13-16)14-20(24(31)25-21)22(29-12-6-7-17(2)15-29)23-26-27-28-30(23)19-8-4-3-5-9-19/h10-11,13-14,17,19,22H,3-9,12,15H2,1-2H3,(H,25,31)/t17-,22+/m1/s1
• InChIKey: DVTFBWPRDWYDPJ-VGSWGCGISA-N
• XLogP: 4.15
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one?

The IUPAC name of 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one (CID 6550895) is 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one?

The canonical SMILES for 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)cc2c1.

What is the InChIKey of 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one?

The InChIKey is DVTFBWPRDWYDPJ-VGSWGCGISA-N. The full InChI is InChI=1S/C24H32N6O/c1-16-10-11-21-18(13-16)14-20(24(31)25-21)22(29-12-6-7-17(2)15-29)23-26-27-28-30(23)19-8-4-3-5-9-19/h10-11,13-14,17,19,22H,3-9,12,15H2,1-2H3,(H,25,31)/t17-,22+/m1/s1.

What are the key properties of 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one?

3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 420.56 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 6550895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).