7-[(E)-hex-1-enyl]-3-methylquinoline

C16H19N — CID 176872184

IUPAC7-[(E)-hex-1-enyl]-3-methylquinoline
SMILESCCCC/C=C/c1ccc2cc(C)cnc2c1
InChIInChI=1S/C16H19N/c1-3-4-5-6-7-14-8-9-15-10-13(2)12-17-16(15)11-14/h6-12H,3-5H2,1-2H3/b7-6+
InChIKeyGZBPZAJXYDQBGL-VOTSOKGWSA-N
MW225.34 g/mol
LogP4.75
Rot. Bonds4

About 7-[(E)-hex-1-enyl]-3-methylquinoline

7-[(E)-hex-1-enyl]-3-methylquinoline (PubChem CID 176872184) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 7-[(E)-hex-1-enyl]-3-methylquinoline.

Molecular Properties

Compound Name7-[(E)-hex-1-enyl]-3-methylquinoline
PubChem CID176872184
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name7-[(E)-hex-1-enyl]-3-methylquinoline
SMILESCCCC/C=C/c1ccc2cc(C)cnc2c1
InChIInChI=1S/C16H19N/c1-3-4-5-6-7-14-8-9-15-10-13(2)12-17-16(15)11-14/h6-12H,3-5H2,1-2H3/b7-6+
InChIKeyGZBPZAJXYDQBGL-VOTSOKGWSA-N
XLogP4.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-hex-1-enyl-2-methylquinoline
CID 54532579
3-methyl-7-(2-methylsulfonylethenyl)quinoline
CID 170319811
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
3-methyl-7-propoxyquinoline
CID 68611316
2-amino-4-hex-1-enylphenol
CID 151495931
5-hex-1-enyl-1-benzofuran
CID 57039277
7-chloro-3-methylquinoline
CID 23510375
3-[(E)-hex-1-enyl]phenol
CID 121007177
4-[(E)-hept-1-enyl]-N,N-dimethylaniline
CID 101050911
1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene
CID 21304348

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-hex-1-enyl]-3-methylquinoline?
The IUPAC name of 7-[(E)-hex-1-enyl]-3-methylquinoline (CID 176872184) is 7-[(E)-hex-1-enyl]-3-methylquinoline.
What is the SMILES notation for 7-[(E)-hex-1-enyl]-3-methylquinoline?
The canonical SMILES for 7-[(E)-hex-1-enyl]-3-methylquinoline is CCCC/C=C/c1ccc2cc(C)cnc2c1.
What is the InChIKey of 7-[(E)-hex-1-enyl]-3-methylquinoline?
The InChIKey is GZBPZAJXYDQBGL-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H19N/c1-3-4-5-6-7-14-8-9-15-10-13(2)12-17-16(15)11-14/h6-12H,3-5H2,1-2H3/b7-6+.
What are the key properties of 7-[(E)-hex-1-enyl]-3-methylquinoline?
7-[(E)-hex-1-enyl]-3-methylquinoline has a molecular weight of 225.34 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-hex-1-enyl]-3-methylquinoline is sourced from PubChem (CID 176872184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).