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

C23H31N6O2+ — CID 6970758

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

7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 6970758) has the molecular formula C23H31N6O2+ and a molecular weight of 423.54 g/mol. Its IUPAC name is 7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
• PubChem CID: 6970758
• Molecular Formula: C23H31N6O2+
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.25
• IUPAC Name: 7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
• SMILES: Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(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)/p+1/t18-,21-/m1/s1
• InChIKey: MDHULDYTEKNHGM-WIYYLYMNSA-O
• XLogP: 1.41
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 6970758) is 7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one.

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

The canonical SMILES for 7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1.

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

The InChIKey is MDHULDYTEKNHGM-WIYYLYMNSA-O. 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)/p+1/t18-,21-/m1/s1.

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

7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 423.54 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-3-[(R)-(4-methylpiperidin-1-ium-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 6970758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).