6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one

C22H28N6O3 — CID 1148423

About 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one

6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 1148423) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
• PubChem CID: 1148423
• Molecular Formula: C22H28N6O3
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.22
• IUPAC Name: 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
• SMILES: CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)cc2c1
• InChI: InChI=1S/C22H28N6O3/c1-2-15-5-6-19-16(12-15)13-18(22(29)23-19)20(27-7-10-30-11-8-27)21-24-25-26-28(21)14-17-4-3-9-31-17/h5-6,12-13,17,20H,2-4,7-11,14H2,1H3,(H,23,29)/t17-,20-/m0/s1
• InChIKey: XQQYMDGEMGWCFT-PXNSSMCTSA-N
• XLogP: 1.68
• TPSA: 98.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The IUPAC name of 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 1148423) is 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The canonical SMILES for 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)cc2c1.

What is the InChIKey of 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one?

The InChIKey is XQQYMDGEMGWCFT-PXNSSMCTSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-2-15-5-6-19-16(12-15)13-18(22(29)23-19)20(27-7-10-30-11-8-27)21-24-25-26-28(21)14-17-4-3-9-31-17/h5-6,12-13,17,20H,2-4,7-11,14H2,1H3,(H,23,29)/t17-,20-/m0/s1.

What are the key properties of 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one?

6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 424.51 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-3-[(S)-morpholin-4-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 1148423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).