8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline

C21H24N6 — CID 50953775

IUPAC8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
SMILESCc1nccn1CCc1nc(CC(C)C)nn1-c1cccc2cccnc12
InChIInChI=1S/C21H24N6/c1-15(2)14-19-24-20(9-12-26-13-11-22-16(26)3)27(25-19)18-8-4-6-17-7-5-10-23-21(17)18/h4-8,10-11,13,15H,9,12,14H2,1-3H3
InChIKeyHKRABOYSDQFINW-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.76
Rot. Bonds6

About 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline

8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline (PubChem CID 50953775) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline.

Molecular Properties

Compound Name8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
PubChem CID50953775
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
SMILESCc1nccn1CCc1nc(CC(C)C)nn1-c1cccc2cccnc12
InChIInChI=1S/C21H24N6/c1-15(2)14-19-24-20(9-12-26-13-11-22-16(26)3)27(25-19)18-8-4-6-17-7-5-10-23-21(17)18/h4-8,10-11,13,15H,9,12,14H2,1-3H3
InChIKeyHKRABOYSDQFINW-UHFFFAOYSA-N
XLogP3.76
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline with MolForge

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Related Compounds

3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole
CID 50962318
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
N,N-dimethyl-3-(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 46991106
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole
CID 95122009
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
CID 79502966
N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 95131488
3-[(5-methyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroisoindol-1-one
CID 46989276
3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
CID 50983362
4-[2-(3-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]butanamide
CID 50969925

Frequently Asked Questions

What is the IUPAC name of 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline?
The IUPAC name of 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline (CID 50953775) is 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline.
What is the SMILES notation for 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline?
The canonical SMILES for 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline is Cc1nccn1CCc1nc(CC(C)C)nn1-c1cccc2cccnc12.
What is the InChIKey of 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline?
The InChIKey is HKRABOYSDQFINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-15(2)14-19-24-20(9-12-26-13-11-22-16(26)3)27(25-19)18-8-4-6-17-7-5-10-23-21(17)18/h4-8,10-11,13,15H,9,12,14H2,1-3H3.
What are the key properties of 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline?
8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline has a molecular weight of 360.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline is sourced from PubChem (CID 50953775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).