1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone

C19H22N4O2S — CID 1135670

IUPAC1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
SMILESCc1cc(C)c2cc(C)c3nnc(SCC(=O)N4CCOCC4)n3c2c1
InChIInChI=1S/C19H22N4O2S/c1-12-8-13(2)15-10-14(3)18-20-21-19(23(18)16(15)9-12)26-11-17(24)22-4-6-25-7-5-22/h8-10H,4-7,11H2,1-3H3
InChIKeyUHILQVBTBDSPPG-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.76
Rot. Bonds3

About 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone

1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone (PubChem CID 1135670) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
PubChem CID1135670
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
SMILESCc1cc(C)c2cc(C)c3nnc(SCC(=O)N4CCOCC4)n3c2c1
InChIInChI=1S/C19H22N4O2S/c1-12-8-13(2)15-10-14(3)18-20-21-19(23(18)16(15)9-12)26-11-17(24)22-4-6-25-7-5-22/h8-10H,4-7,11H2,1-3H3
InChIKeyUHILQVBTBDSPPG-UHFFFAOYSA-N
XLogP2.76
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone (CID 1135670) is 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone is Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4CCOCC4)n3c2c1.
What is the InChIKey of 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
The InChIKey is UHILQVBTBDSPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-8-13(2)15-10-14(3)18-20-21-19(23(18)16(15)9-12)26-11-17(24)22-4-6-25-7-5-22/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone has a molecular weight of 370.48 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(4,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone is sourced from PubChem (CID 1135670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).