2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline

C25H26FN — CID 70127709

IUPAC2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline
SMILESC=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)F)cc3)ccc2c1
InChIInChI=1S/C25H26FN/c1-3-7-21-12-16-25-23(18-21)15-17-24(27-25)22-13-10-20(11-14-22)9-6-4-5-8-19(2)26/h3,6,9-19H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyGXSUYGQSEOLVPJ-RMKNXTFCSA-N
MW359.49 g/mol
LogP7.17
Rot. Bonds8

About 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline

2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline (PubChem CID 70127709) has the molecular formula C25H26FN and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline.

Molecular Properties

Compound Name2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline
PubChem CID70127709
Molecular FormulaC25H26FN
Molecular Weight359.49 g/mol
Exact Mass359.20
IUPAC Name2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline
SMILESC=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)F)cc3)ccc2c1
InChIInChI=1S/C25H26FN/c1-3-7-21-12-16-25-23(18-21)15-17-24(27-25)22-13-10-20(11-14-22)9-6-4-5-8-19(2)26/h3,6,9-19H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyGXSUYGQSEOLVPJ-RMKNXTFCSA-N
XLogP7.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline 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

3-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70127876
(E)-7-[2-(4-prop-2-enylphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70264319
2-[4-[4-(6-fluorohept-1-enyl)phenyl]phenyl]-5-prop-2-enylpyrimidine
CID 70128519
3-[(E)-6-fluorohept-1-enyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 67637372
5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine
CID 70128764
7-[6-(6-prop-2-enylnaphthalen-2-yl)-3-pyridinyl]hept-6-en-2-ol
CID 70263718
2-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70264415
3-[4-[(E)-6-fluorohept-1-enyl]phenyl]-7-prop-2-enoxyisoquinoline
CID 70126664
7-[2-(4-prop-2-enoxyphenyl)quinolin-6-yl]hept-6-en-2-ol
CID 70262916
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
2-[4-[4-[(E)-6-fluorohept-1-enyl]phenyl]phenyl]-5-prop-2-enoxypyridine
CID 70129649

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline?
The IUPAC name of 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline (CID 70127709) is 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline.
What is the SMILES notation for 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline?
The canonical SMILES for 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline is C=CCc1ccc2nc(-c3ccc(/C=C/CCCC(C)F)cc3)ccc2c1.
What is the InChIKey of 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline?
The InChIKey is GXSUYGQSEOLVPJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C25H26FN/c1-3-7-21-12-16-25-23(18-21)15-17-24(27-25)22-13-10-20(11-14-22)9-6-4-5-8-19(2)26/h3,6,9-19H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline?
2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline has a molecular weight of 359.49 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline is sourced from PubChem (CID 70127709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).