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

C23H30N6O3 — CID 25303365

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

7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 25303365) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
• PubChem CID: 25303365
• Molecular Formula: C23H30N6O3
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.24
• IUPAC Name: 7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
• SMILES: COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1
• InChI: InChI=1S/C23H30N6O3/c1-15-5-3-9-28(13-15)21(22-25-26-27-29(22)14-18-6-4-10-32-18)19-11-16-7-8-17(31-2)12-20(16)24-23(19)30/h7-8,11-12,15,18,21H,3-6,9-10,13-14H2,1-2H3,(H,24,30)/t15-,18+,21-/m1/s1
• InChIKey: SUAOACBKXJPNLK-FYINFDKHSA-N
• XLogP: 2.52
• TPSA: 98.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 25303365) is 7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one.

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

The canonical SMILES for 7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1.

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

The InChIKey is SUAOACBKXJPNLK-FYINFDKHSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-15-5-3-9-28(13-15)21(22-25-26-27-29(22)14-18-6-4-10-32-18)19-11-16-7-8-17(31-2)12-20(16)24-23(19)30/h7-8,11-12,15,18,21H,3-6,9-10,13-14H2,1-2H3,(H,24,30)/t15-,18+,21-/m1/s1.

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

7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 438.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-3-[(R)-[(3R)-3-methylpiperidin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 25303365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).