6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline

C19H20N6 — CID 154567422

IUPAC6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline
SMILESCCCn1ncnc1C(C)n1ccnc1-c1ccc2ncccc2c1
InChIInChI=1S/C19H20N6/c1-3-10-25-18(22-13-23-25)14(2)24-11-9-21-19(24)16-6-7-17-15(12-16)5-4-8-20-17/h4-9,11-14H,3,10H2,1-2H3
InChIKeyASQDTDALLGUNDK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.71
Rot. Bonds5

About 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline

6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline (PubChem CID 154567422) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Name6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline
PubChem CID154567422
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline
SMILESCCCn1ncnc1C(C)n1ccnc1-c1ccc2ncccc2c1
InChIInChI=1S/C19H20N6/c1-3-10-25-18(22-13-23-25)14(2)24-11-9-21-19(24)16-6-7-17-15(12-16)5-4-8-20-17/h4-9,11-14H,3,10H2,1-2H3
InChIKeyASQDTDALLGUNDK-UHFFFAOYSA-N
XLogP3.71
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline with MolForge

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Related Compounds

6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
CID 115393947
1-methyl-2-quinolin-6-ylimidazol-4-ol
CID 106952318
6-(3-methylphenyl)quinoline
CID 4185278
(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 112744766
2-methoxy-3-(2-propyl-1,2,4-triazol-3-yl)quinoline
CID 155917397
4-propan-2-yl-3-quinolin-6-yl-1H-1,2,4-triazole-5-thione
CID 115390219
3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine
CID 63969523
(1S)-2-methyl-1-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 104900102
2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
6-[1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline
CID 141206075
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline?
The IUPAC name of 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline (CID 154567422) is 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline.
What is the SMILES notation for 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline?
The canonical SMILES for 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline is CCCn1ncnc1C(C)n1ccnc1-c1ccc2ncccc2c1.
What is the InChIKey of 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline?
The InChIKey is ASQDTDALLGUNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-3-10-25-18(22-13-23-25)14(2)24-11-9-21-19(24)16-6-7-17-15(12-16)5-4-8-20-17/h4-9,11-14H,3,10H2,1-2H3.
What are the key properties of 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline?
6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline has a molecular weight of 332.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]quinoline is sourced from PubChem (CID 154567422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).