2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline

C25H28FN — CID 67636311

IUPAC2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline
SMILESC=CCc1cc(CCCCCC(C)F)ccc1-c1ccc2ccccc2n1
InChIInChI=1S/C25H28FN/c1-3-9-22-18-20(11-6-4-5-10-19(2)26)14-16-23(22)25-17-15-21-12-7-8-13-24(21)27-25/h3,7-8,12-19H,1,4-6,9-11H2,2H3
InChIKeySVIOWVRORYKGPG-UHFFFAOYSA-N
MW361.50 g/mol
LogP7.09
Rot. Bonds9

About 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline

2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline (PubChem CID 67636311) has the molecular formula C25H28FN and a molecular weight of 361.50 g/mol. Its IUPAC name is 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline.

Molecular Properties

Compound Name2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline
PubChem CID67636311
Molecular FormulaC25H28FN
Molecular Weight361.50 g/mol
Exact Mass361.22
IUPAC Name2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline
SMILESC=CCc1cc(CCCCCC(C)F)ccc1-c1ccc2ccccc2n1
InChIInChI=1S/C25H28FN/c1-3-9-22-18-20(11-6-4-5-10-19(2)26)14-16-23(22)25-17-15-21-12-7-8-13-24(21)27-25/h3,7-8,12-19H,1,4-6,9-11H2,2H3
InChIKeySVIOWVRORYKGPG-UHFFFAOYSA-N
XLogP7.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.50
LogP ≤ 57.09
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'}

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Related Compounds

2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline
CID 67637994
6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline
CID 67636557
3-[4-(6-fluoroheptyl)phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70128253
3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine
CID 67637563
3-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]pyridine
CID 67638405
1-(6-fluoroheptyl)-4-(4-prop-2-enoxyphenyl)benzene
CID 67636516
2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70127709
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
2-[2-(2-methylpropyl)phenyl]quinoline
CID 175803564
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
CID 122600309
2-(5,5-difluoropentyl)naphthalene
CID 68979271
(3-methyl-4-quinolin-2-ylphenyl)methanol
CID 170986628

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline?
The IUPAC name of 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline (CID 67636311) is 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline.
What is the SMILES notation for 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline?
The canonical SMILES for 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline is C=CCc1cc(CCCCCC(C)F)ccc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline?
The InChIKey is SVIOWVRORYKGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN/c1-3-9-22-18-20(11-6-4-5-10-19(2)26)14-16-23(22)25-17-15-21-12-7-8-13-24(21)27-25/h3,7-8,12-19H,1,4-6,9-11H2,2H3.
What are the key properties of 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline?
2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline has a molecular weight of 361.50 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline is sourced from PubChem (CID 67636311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).