4-ethyl-2-hexylquinoline

C17H23N — CID 143260250

IUPAC4-ethyl-2-hexylquinoline
SMILESCCCCCCc1cc(CC)c2ccccc2n1
InChIInChI=1S/C17H23N/c1-3-5-6-7-10-15-13-14(4-2)16-11-8-9-12-17(16)18-15/h8-9,11-13H,3-7,10H2,1-2H3
InChIKeyOOUQVUABLRZLMJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.92
Rot. Bonds6

About 4-ethyl-2-hexylquinoline

4-ethyl-2-hexylquinoline (PubChem CID 143260250) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-ethyl-2-hexylquinoline.

Molecular Properties

Compound Name4-ethyl-2-hexylquinoline
PubChem CID143260250
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name4-ethyl-2-hexylquinoline
SMILESCCCCCCc1cc(CC)c2ccccc2n1
InChIInChI=1S/C17H23N/c1-3-5-6-7-10-15-13-14(4-2)16-11-8-9-12-17(16)18-15/h8-9,11-13H,3-7,10H2,1-2H3
InChIKeyOOUQVUABLRZLMJ-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethyl-2-hexylquinoline 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

2-nonylquinolin-4-olate
CID 162840210
2-hexyl-4-methylquinoline
CID 504074
4-chloro-2-decylquinoline
CID 171487257
2-pentylquinolin-4-amine
CID 14082309
4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline
CID 174849155
4-hexyl-2-methylquinoline
CID 12861362
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
2-chloro-4-pentadecylquinoline
CID 3679887
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
2-octylquinoxaline
CID 141276580
2-tetradecylquinoxaline
CID 21024312
1-octadecylacridine
CID 87175858

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hexylquinoline?
The IUPAC name of 4-ethyl-2-hexylquinoline (CID 143260250) is 4-ethyl-2-hexylquinoline.
What is the SMILES notation for 4-ethyl-2-hexylquinoline?
The canonical SMILES for 4-ethyl-2-hexylquinoline is CCCCCCc1cc(CC)c2ccccc2n1.
What is the InChIKey of 4-ethyl-2-hexylquinoline?
The InChIKey is OOUQVUABLRZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-5-6-7-10-15-13-14(4-2)16-11-8-9-12-17(16)18-15/h8-9,11-13H,3-7,10H2,1-2H3.
What are the key properties of 4-ethyl-2-hexylquinoline?
4-ethyl-2-hexylquinoline has a molecular weight of 241.38 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hexylquinoline is sourced from PubChem (CID 143260250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).