7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

C23H30N6O2 — CID 3176485

About 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 3176485) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
• PubChem CID: 3176485
• Molecular Formula: C23H30N6O2
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
• SMILES: Cc1ccc2cc(C(c3nnnn3CC3CCCO3)N3CCC(C)CC3)c(=O)[nH]c2c1
• InChI: InChI=1S/C23H30N6O2/c1-15-7-9-28(10-8-15)21(22-25-26-27-29(22)14-18-4-3-11-31-18)19-13-17-6-5-16(2)12-20(17)24-23(19)30/h5-6,12-13,15,18,21H,3-4,7-11,14H2,1-2H3,(H,24,30)
• InChIKey: MDHULDYTEKNHGM-UHFFFAOYSA-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 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The IUPAC name of 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 3176485) is 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

What is the SMILES notation for 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The canonical SMILES for 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is Cc1ccc2cc(C(c3nnnn3CC3CCCO3)N3CCC(C)CC3)c(=O)[nH]c2c1.

What is the InChIKey of 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The InChIKey is MDHULDYTEKNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-7-9-28(10-8-15)21(22-25-26-27-29(22)14-18-4-3-11-31-18)19-13-17-6-5-16(2)12-20(17)24-23(19)30/h5-6,12-13,15,18,21H,3-4,7-11,14H2,1-2H3,(H,24,30).

What are the key properties of 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?

7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)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 7-methyl-3-[(4-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3176485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).