(2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one

C20H24N4O2S — CID 42272546

About (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one

(2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one (PubChem CID 42272546) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one.

Molecular Properties

• Compound Name: (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one
• PubChem CID: 42272546
• Molecular Formula: C20H24N4O2S
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.16
• IUPAC Name: (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one
• SMILES: Cc1cc(C)c2c(c1)c(C)cc1nnc(S[C@H](C)C(=O)N3CCOCC3)n12
• InChI: InChI=1S/C20H24N4O2S/c1-12-9-14(3)18-16(10-12)13(2)11-17-21-22-20(24(17)18)27-15(4)19(25)23-5-7-26-8-6-23/h9-11,15H,5-8H2,1-4H3/t15-/m1/s1
• InChIKey: VACLTXLESIJDAY-OAHLLOKOSA-N
• XLogP: 3.15
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one?

The IUPAC name of (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one (CID 42272546) is (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one.

What is the SMILES notation for (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one?

The canonical SMILES for (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one is Cc1cc(C)c2c(c1)c(C)cc1nnc(S[C@H](C)C(=O)N3CCOCC3)n12.

What is the InChIKey of (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one?

The InChIKey is VACLTXLESIJDAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12-9-14(3)18-16(10-12)13(2)11-17-21-22-20(24(17)18)27-15(4)19(25)23-5-7-26-8-6-23/h9-11,15H,5-8H2,1-4H3/t15-/m1/s1.

What are the key properties of (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one?

(2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one has a molecular weight of 384.51 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 42272546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).