3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

C20H26N6O3 — CID 7129988

About 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 7129988) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
• PubChem CID: 7129988
• Molecular Formula: C20H26N6O3
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.21
• IUPAC Name: 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
• SMILES: COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCC(O)CC1
• InChI: InChI=1S/C20H26N6O3/c1-13-4-3-5-14-12-16(20(28)21-17(13)14)18(25-8-6-15(27)7-9-25)19-22-23-24-26(19)10-11-29-2/h3-5,12,15,18,27H,6-11H2,1-2H3,(H,21,28)/t18-/m0/s1
• InChIKey: ADYZPAIOMVZIDY-SFHVURJKSA-N
• XLogP: 1.02
• TPSA: 109.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one?

The IUPAC name of 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one (CID 7129988) is 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one?

The canonical SMILES for 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one is COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCC(O)CC1.

What is the InChIKey of 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one?

The InChIKey is ADYZPAIOMVZIDY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13-4-3-5-14-12-16(20(28)21-17(13)14)18(25-8-6-15(27)7-9-25)19-22-23-24-26(19)10-11-29-2/h3-5,12,15,18,27H,6-11H2,1-2H3,(H,21,28)/t18-/m0/s1.

What are the key properties of 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one?

3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 398.47 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(S)-(4-hydroxypiperidin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 7129988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).