8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline

C17H23N3 — CID 114716664

IUPAC8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC(C)n1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C17H23N3/c1-3-6-13(2)20-12-18-11-16(20)15-9-4-7-14-8-5-10-19-17(14)15/h4,7,9,11-13,19H,3,5-6,8,10H2,1-2H3
InChIKeyOVHXAWPLYDSCCY-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.27
Rot. Bonds4

About 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline

8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 114716664) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID114716664
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC(C)n1cncc1-c1cccc2c1NCCC2
InChIInChI=1S/C17H23N3/c1-3-6-13(2)20-12-18-11-16(20)15-9-4-7-14-8-5-10-19-17(14)15/h4,7,9,11-13,19H,3,5-6,8,10H2,1-2H3
InChIKeyOVHXAWPLYDSCCY-UHFFFAOYSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline 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

7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114721013
8-[3-(2-cyclopropylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722102
8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114717316
7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114720858
3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine
CID 114718280
8-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722090
8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722364
N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
CID 114715972
methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate
CID 114718971
5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 106422528
7-(3-cyclobutylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114720083
8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781756

Frequently Asked Questions

What is the IUPAC name of 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline (CID 114716664) is 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline is CCCC(C)n1cncc1-c1cccc2c1NCCC2.
What is the InChIKey of 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is OVHXAWPLYDSCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-6-13(2)20-12-18-11-16(20)15-9-4-7-14-8-5-10-19-17(14)15/h4,7,9,11-13,19H,3,5-6,8,10H2,1-2H3.
What are the key properties of 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline?
8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 269.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-pentan-2-ylimidazol-4-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114716664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).