6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one

C21H29N6O2+ — CID 7272885

About 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one

6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one (PubChem CID 7272885) has the molecular formula C21H29N6O2+ and a molecular weight of 397.50 g/mol. Its IUPAC name is 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one
• PubChem CID: 7272885
• Molecular Formula: C21H29N6O2+
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.23
• IUPAC Name: 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one
• SMILES: CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[NH+]3CCCCC3)cc2c1
• InChI: InChI=1S/C21H28N6O2/c1-3-15-7-8-18-16(13-15)14-17(21(28)22-18)19(26-9-5-4-6-10-26)20-23-24-25-27(20)11-12-29-2/h7-8,13-14,19H,3-6,9-12H2,1-2H3,(H,22,28)/p+1/t19-/m1/s1
• InChIKey: ZITIOQMQTSTOHY-LJQANCHMSA-O
• XLogP: 0.88
• TPSA: 90.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one?

The IUPAC name of 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one (CID 7272885) is 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one?

The canonical SMILES for 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[NH+]3CCCCC3)cc2c1.

What is the InChIKey of 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one?

The InChIKey is ZITIOQMQTSTOHY-LJQANCHMSA-O. The full InChI is InChI=1S/C21H28N6O2/c1-3-15-7-8-18-16(13-15)14-17(21(28)22-18)19(26-9-5-4-6-10-26)20-23-24-25-27(20)11-12-29-2/h7-8,13-14,19H,3-6,9-12H2,1-2H3,(H,22,28)/p+1/t19-/m1/s1.

What are the key properties of 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one?

6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one has a molecular weight of 397.50 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 7272885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).