6-hex-1-enyl-2-methylquinoline

C16H19N — CID 54532579

IUPAC6-hex-1-enyl-2-methylquinoline
SMILESCCCCC=Cc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H19N/c1-3-4-5-6-7-14-9-11-16-15(12-14)10-8-13(2)17-16/h6-12H,3-5H2,1-2H3
InChIKeyYXNZEQNXJKGWPW-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.75
Rot. Bonds4

About 6-hex-1-enyl-2-methylquinoline

6-hex-1-enyl-2-methylquinoline (PubChem CID 54532579) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-hex-1-enyl-2-methylquinoline.

Molecular Properties

Compound Name6-hex-1-enyl-2-methylquinoline
PubChem CID54532579
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name6-hex-1-enyl-2-methylquinoline
SMILESCCCCC=Cc1ccc2nc(C)ccc2c1
InChIInChI=1S/C16H19N/c1-3-4-5-6-7-14-9-11-16-15(12-14)10-8-13(2)17-16/h6-12H,3-5H2,1-2H3
InChIKeyYXNZEQNXJKGWPW-UHFFFAOYSA-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

7-[(E)-hex-1-enyl]-3-methylquinoline
CID 176872184
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
CID 169480915
5-hex-1-enyl-1-benzofuran
CID 57039277
2-amino-4-hex-1-enylphenol
CID 151495931
6-[(E)-6-pentoxyhept-1-enyl]-2-prop-2-enoxyquinoline
CID 70260882
4-(2-methoxyquinolin-6-yl)but-3-ene-1-thiol
CID 170479131
(E)-3-methyl-4-(2-methylquinolin-6-yl)but-3-en-2-ol
CID 103091245
(2E)-2-[(2-methylquinolin-6-yl)methylidene]-N-propylbutan-1-amine
CID 105379764
3-[(E)-hex-1-enyl]phenol
CID 121007177
2-pentylquinoline-6-carbaldehyde
CID 87695351

Frequently Asked Questions

What is the IUPAC name of 6-hex-1-enyl-2-methylquinoline?
The IUPAC name of 6-hex-1-enyl-2-methylquinoline (CID 54532579) is 6-hex-1-enyl-2-methylquinoline.
What is the SMILES notation for 6-hex-1-enyl-2-methylquinoline?
The canonical SMILES for 6-hex-1-enyl-2-methylquinoline is CCCCC=Cc1ccc2nc(C)ccc2c1.
What is the InChIKey of 6-hex-1-enyl-2-methylquinoline?
The InChIKey is YXNZEQNXJKGWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-4-5-6-7-14-9-11-16-15(12-14)10-8-13(2)17-16/h6-12H,3-5H2,1-2H3.
What are the key properties of 6-hex-1-enyl-2-methylquinoline?
6-hex-1-enyl-2-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 6-hex-1-enyl-2-methylquinoline is sourced from PubChem (CID 54532579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).