8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

C18H18N4S — CID 42021119

IUPAC8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline
SMILESc1cnc2c(CSc3nnc(C4CC4)n3C3CC3)cccc2c1
InChIInChI=1S/C18H18N4S/c1-3-12-5-2-10-19-16(12)14(4-1)11-23-18-21-20-17(13-6-7-13)22(18)15-8-9-15/h1-5,10,13,15H,6-9,11H2
InChIKeyAPVJKVYVGVVCES-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.33
Rot. Bonds5

About 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline

8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline (PubChem CID 42021119) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline.

Molecular Properties

Compound Name8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline
PubChem CID42021119
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC Name8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline
SMILESc1cnc2c(CSc3nnc(C4CC4)n3C3CC3)cccc2c1
InChIInChI=1S/C18H18N4S/c1-3-12-5-2-10-19-16(12)14(4-1)11-23-18-21-20-17(13-6-7-13)22(18)15-8-9-15/h1-5,10,13,15H,6-9,11H2
InChIKeyAPVJKVYVGVVCES-UHFFFAOYSA-N
XLogP4.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 62921467
8-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 37159372
3,4-dicyclopropyl-5-[(2,3-dichlorophenyl)methylsulfanyl]-1,2,4-triazole
CID 130364519
5-chloro-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 62101926
3-[2-(2-chlorophenyl)ethylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole
CID 60603455
3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 9027504
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8970188
5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9027429
5-chloro-8-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 38874384
3,4-dicyclopropyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
CID 9381085
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylthiadiazol-5-amine
CID 62189084
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 7665347

Frequently Asked Questions

What is the IUPAC name of 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline?
The IUPAC name of 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline (CID 42021119) is 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline.
What is the SMILES notation for 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline?
The canonical SMILES for 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline is c1cnc2c(CSc3nnc(C4CC4)n3C3CC3)cccc2c1.
What is the InChIKey of 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline?
The InChIKey is APVJKVYVGVVCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S/c1-3-12-5-2-10-19-16(12)14(4-1)11-23-18-21-20-17(13-6-7-13)22(18)15-8-9-15/h1-5,10,13,15H,6-9,11H2.
What are the key properties of 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline?
8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline has a molecular weight of 322.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline is sourced from PubChem (CID 42021119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).