3-hex-1-enyl-2,4-dimethylquinoline

C17H21N — CID 70124767

IUPAC3-hex-1-enyl-2,4-dimethylquinoline
SMILESCCCCC=Cc1c(C)nc2ccccc2c1C
InChIInChI=1S/C17H21N/c1-4-5-6-7-10-15-13(2)16-11-8-9-12-17(16)18-14(15)3/h7-12H,4-6H2,1-3H3
InChIKeyYPGXLFKQOVBMEC-UHFFFAOYSA-N
MW239.36 g/mol
LogP5.06
Rot. Bonds4

About 3-hex-1-enyl-2,4-dimethylquinoline

3-hex-1-enyl-2,4-dimethylquinoline (PubChem CID 70124767) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-hex-1-enyl-2,4-dimethylquinoline.

Molecular Properties

Compound Name3-hex-1-enyl-2,4-dimethylquinoline
PubChem CID70124767
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-hex-1-enyl-2,4-dimethylquinoline
SMILESCCCCC=Cc1c(C)nc2ccccc2c1C
InChIInChI=1S/C17H21N/c1-4-5-6-7-10-15-13(2)16-11-8-9-12-17(16)18-14(15)3/h7-12H,4-6H2,1-3H3
InChIKeyYPGXLFKQOVBMEC-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-hex-1-enyl-2,4-dimethylquinoline 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 3-hex-1-enyl-2,4-dimethylquinoline?
The IUPAC name of 3-hex-1-enyl-2,4-dimethylquinoline (CID 70124767) is 3-hex-1-enyl-2,4-dimethylquinoline.
What is the SMILES notation for 3-hex-1-enyl-2,4-dimethylquinoline?
The canonical SMILES for 3-hex-1-enyl-2,4-dimethylquinoline is CCCCC=Cc1c(C)nc2ccccc2c1C.
What is the InChIKey of 3-hex-1-enyl-2,4-dimethylquinoline?
The InChIKey is YPGXLFKQOVBMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-4-5-6-7-10-15-13(2)16-11-8-9-12-17(16)18-14(15)3/h7-12H,4-6H2,1-3H3.
What are the key properties of 3-hex-1-enyl-2,4-dimethylquinoline?
3-hex-1-enyl-2,4-dimethylquinoline has a molecular weight of 239.36 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-enyl-2,4-dimethylquinoline is sourced from PubChem (CID 70124767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).