5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline

C15H17N3 — CID 10586086

IUPAC5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline
SMILESC1=C(CCCn2ccnc2)c2cccnc2CC1
InChIInChI=1S/C15H17N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,4,6,8-9,11-12H,1,3,5,7,10H2
InChIKeyJHKBLBMCCJQROB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.09
Rot. Bonds4

About 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline

5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline (PubChem CID 10586086) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline
PubChem CID10586086
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline
SMILESC1=C(CCCn2ccnc2)c2cccnc2CC1
InChIInChI=1S/C15H17N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,4,6,8-9,11-12H,1,3,5,7,10H2
InChIKeyJHKBLBMCCJQROB-UHFFFAOYSA-N
XLogP3.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline?
The IUPAC name of 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline (CID 10586086) is 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline.
What is the SMILES notation for 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline?
The canonical SMILES for 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline is C1=C(CCCn2ccnc2)c2cccnc2CC1.
What is the InChIKey of 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline?
The InChIKey is JHKBLBMCCJQROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-4-13(5-3-10-18-11-9-16-12-18)14-6-2-8-17-15(14)7-1/h2,4,6,8-9,11-12H,1,3,5,7,10H2.
What are the key properties of 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline?
5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline has a molecular weight of 239.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropyl)-7,8-dihydroquinoline is sourced from PubChem (CID 10586086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).