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

C23H30N6O2 — CID 7116423

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

6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 7116423) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
• PubChem CID: 7116423
• Molecular Formula: C23H30N6O2
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: 6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
• SMILES: Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1
• InChI: InChI=1S/C23H30N6O2/c1-15-7-8-20-17(11-15)12-19(23(30)24-20)21(28-9-3-5-16(2)13-28)22-25-26-27-29(22)14-18-6-4-10-31-18/h7-8,11-12,16,18,21H,3-6,9-10,13-14H2,1-2H3,(H,24,30)/t16-,18-,21-/m0/s1
• InChIKey: ZLZUELCOXFCZDS-MDKPJZGXSA-N
• XLogP: 2.82
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 7116423) is 6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one.

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

The canonical SMILES for 6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)cc2c1.

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

The InChIKey is ZLZUELCOXFCZDS-MDKPJZGXSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-7-8-20-17(11-15)12-19(23(30)24-20)21(28-9-3-5-16(2)13-28)22-25-26-27-29(22)14-18-6-4-10-31-18/h7-8,11-12,16,18,21H,3-6,9-10,13-14H2,1-2H3,(H,24,30)/t16-,18-,21-/m0/s1.

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

6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 422.53 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-3-[(S)-[(3S)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 7116423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).