2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone

C18H19N5O2S — CID 2823427

IUPAC2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc2ncccc2c1
InChIInChI=1S/C18H19N5O2S/c1-22-17(14-4-5-15-13(11-14)3-2-6-19-15)20-21-18(22)26-12-16(24)23-7-9-25-10-8-23/h2-6,11H,7-10,12H2,1H3
InChIKeyAZBOMXDLBDGLSI-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.98
Rot. Bonds4

About 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone

2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 2823427) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
PubChem CID2823427
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc2ncccc2c1
InChIInChI=1S/C18H19N5O2S/c1-22-17(14-4-5-15-13(11-14)3-2-6-19-15)20-21-18(22)26-12-16(24)23-7-9-25-10-8-23/h2-6,11H,7-10,12H2,1H3
InChIKeyAZBOMXDLBDGLSI-UHFFFAOYSA-N
XLogP1.98
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone (CID 2823427) is 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone is Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc2ncccc2c1.
What is the InChIKey of 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is AZBOMXDLBDGLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-22-17(14-4-5-15-13(11-14)3-2-6-19-15)20-21-18(22)26-12-16(24)23-7-9-25-10-8-23/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 369.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 2823427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).