6-oct-5-en-4-ylquinoline

C17H21N — CID 170319813

IUPAC6-oct-5-en-4-ylquinoline
SMILESCCC=CC(CCC)c1ccc2ncccc2c1
InChIInChI=1S/C17H21N/c1-3-5-8-14(7-4-2)15-10-11-17-16(13-15)9-6-12-18-17/h5-6,8-14H,3-4,7H2,1-2H3
InChIKeyHXBLICFYUYRQJI-UHFFFAOYSA-N
MW239.36 g/mol
LogP5.08
Rot. Bonds5

About 6-oct-5-en-4-ylquinoline

6-oct-5-en-4-ylquinoline (PubChem CID 170319813) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-oct-5-en-4-ylquinoline.

Molecular Properties

Compound Name6-oct-5-en-4-ylquinoline
PubChem CID170319813
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name6-oct-5-en-4-ylquinoline
SMILESCCC=CC(CCC)c1ccc2ncccc2c1
InChIInChI=1S/C17H21N/c1-3-5-8-14(7-4-2)15-10-11-17-16(13-15)9-6-12-18-17/h5-6,8-14H,3-4,7H2,1-2H3
InChIKeyHXBLICFYUYRQJI-UHFFFAOYSA-N
XLogP5.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-oct-5-en-4-ylquinoline 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-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
1-quinolin-6-ylbutan-1-amine
CID 63095616
1-quinolin-6-yldecan-1-amine
CID 63418413
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
2-quinolin-6-ylpropan-1-amine
CID 79002101
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677

Frequently Asked Questions

What is the IUPAC name of 6-oct-5-en-4-ylquinoline?
The IUPAC name of 6-oct-5-en-4-ylquinoline (CID 170319813) is 6-oct-5-en-4-ylquinoline.
What is the SMILES notation for 6-oct-5-en-4-ylquinoline?
The canonical SMILES for 6-oct-5-en-4-ylquinoline is CCC=CC(CCC)c1ccc2ncccc2c1.
What is the InChIKey of 6-oct-5-en-4-ylquinoline?
The InChIKey is HXBLICFYUYRQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-5-8-14(7-4-2)15-10-11-17-16(13-15)9-6-12-18-17/h5-6,8-14H,3-4,7H2,1-2H3.
What are the key properties of 6-oct-5-en-4-ylquinoline?
6-oct-5-en-4-ylquinoline has a molecular weight of 239.36 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oct-5-en-4-ylquinoline is sourced from PubChem (CID 170319813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).