4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline

C19H18N4S — CID 3189393

IUPAC4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc2cc(C)c3nnc(SCc4ccccn4)n3c2cc1C
InChIInChI=1S/C19H18N4S/c1-12-8-15-9-14(3)18-21-22-19(23(18)17(15)10-13(12)2)24-11-16-6-4-5-7-20-16/h4-10H,11H2,1-3H3
InChIKeyWRPKBTIEGRGWSV-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.50
Rot. Bonds3

About 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline

4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 3189393) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID3189393
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1cc2cc(C)c3nnc(SCc4ccccn4)n3c2cc1C
InChIInChI=1S/C19H18N4S/c1-12-8-15-9-14(3)18-21-22-19(23(18)17(15)10-13(12)2)24-11-16-6-4-5-7-20-16/h4-10H,11H2,1-3H3
InChIKeyWRPKBTIEGRGWSV-UHFFFAOYSA-N
XLogP4.50
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline with MolForge

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Related Compounds

1-pyrrolidin-1-yl-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
CID 1374089
8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 43817370
5-benzyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 43817131
4-butyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17415557
N-(1,3-benzothiazol-2-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1374112
ethyl 2-[(7,8-dimethoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate
CID 1135739
2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 43816029
1-(2-methylpiperidin-1-yl)-2-[(4,7,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
CID 3189385
4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 19850830
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 132891259
7-(4-methylphenyl)-3-(pyridin-2-ylmethylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160484
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 35532260

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline (CID 3189393) is 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline is Cc1cc2cc(C)c3nnc(SCc4ccccn4)n3c2cc1C.
What is the InChIKey of 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is WRPKBTIEGRGWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-12-8-15-9-14(3)18-21-22-19(23(18)17(15)10-13(12)2)24-11-16-6-4-5-7-20-16/h4-10H,11H2,1-3H3.
What are the key properties of 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline?
4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 334.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 3189393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).