4-butyl-7,8-dihydroquinoline

C13H17N — CID 143618595

IUPAC4-butyl-7,8-dihydroquinoline
SMILESCCCCc1ccnc2c1C=CCC2
InChIInChI=1S/C13H17N/c1-2-3-6-11-9-10-14-13-8-5-4-7-12(11)13/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyCLMDENHQTSKAAE-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.38
Rot. Bonds3

About 4-butyl-7,8-dihydroquinoline

4-butyl-7,8-dihydroquinoline (PubChem CID 143618595) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-butyl-7,8-dihydroquinoline.

Molecular Properties

Compound Name4-butyl-7,8-dihydroquinoline
PubChem CID143618595
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-butyl-7,8-dihydroquinoline
SMILESCCCCc1ccnc2c1C=CCC2
InChIInChI=1S/C13H17N/c1-2-3-6-11-9-10-14-13-8-5-4-7-12(11)13/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyCLMDENHQTSKAAE-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-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

Related Compounds

7,8-dihydroquinolin-4-ylmethanimine
CID 144615054
1-ethyl-5,6-dihydroisoquinoline
CID 174496014
2-methyl-4-propyl-7,8-dihydroquinazoline
CID 177061424
4-butyl-1,8-naphthyridine
CID 20689310
2-(3-butyl-2-cyclohexa-1,5-dien-1-yl-4-pyridinyl)acetonitrile
CID 142148435
4,7-di(tridecyl)-1,10-phenanthroline
CID 5194028
4,7-didodecyl-1,10-phenanthroline
CID 10098057
4,7-dihexyl-1,10-phenanthroline
CID 10904194
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296
4-butylquinolin-6-ol
CID 155350973
1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene
CID 173142275
3-ethyl-2-methyl-4-octylpyridine
CID 175330346

Frequently Asked Questions

What is the IUPAC name of 4-butyl-7,8-dihydroquinoline?
The IUPAC name of 4-butyl-7,8-dihydroquinoline (CID 143618595) is 4-butyl-7,8-dihydroquinoline.
What is the SMILES notation for 4-butyl-7,8-dihydroquinoline?
The canonical SMILES for 4-butyl-7,8-dihydroquinoline is CCCCc1ccnc2c1C=CCC2.
What is the InChIKey of 4-butyl-7,8-dihydroquinoline?
The InChIKey is CLMDENHQTSKAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-3-6-11-9-10-14-13-8-5-4-7-12(11)13/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of 4-butyl-7,8-dihydroquinoline?
4-butyl-7,8-dihydroquinoline has a molecular weight of 187.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-7,8-dihydroquinoline is sourced from PubChem (CID 143618595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).