(2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

C19H22N4O3S — CID 40973836

About (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 40973836) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
• PubChem CID: 40973836
• Molecular Formula: C19H22N4O3S
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.14
• IUPAC Name: (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
• SMILES: COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c2c1
• InChI: InChI=1S/C19H22N4O3S/c1-12-10-17-20-21-19(23(17)16-11-14(25-3)4-5-15(12)16)27-13(2)18(24)22-6-8-26-9-7-22/h4-5,10-11,13H,6-9H2,1-3H3/t13-/m0/s1
• InChIKey: SXAKHPRAJAJULI-ZDUSSCGKSA-N
• XLogP: 2.54
• TPSA: 68.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?

The IUPAC name of (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 40973836) is (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.

What is the SMILES notation for (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?

The canonical SMILES for (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is COc1ccc2c(C)cc3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c2c1.

What is the InChIKey of (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?

The InChIKey is SXAKHPRAJAJULI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-10-17-20-21-19(23(17)16-11-14(25-3)4-5-15(12)16)27-13(2)18(24)22-6-8-26-9-7-22/h4-5,10-11,13H,6-9H2,1-3H3/t13-/m0/s1.

What are the key properties of (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?

(2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 386.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 40973836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).