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

C25H28FNO — CID 67637994

IUPAC2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline
SMILESC=CCOc1cc(CCCCCC(C)F)ccc1-c1ccc2ccccc2n1
InChIInChI=1S/C25H28FNO/c1-3-17-28-25-18-20(10-6-4-5-9-19(2)26)13-15-22(25)24-16-14-21-11-7-8-12-23(21)27-24/h3,7-8,11-16,18-19H,1,4-6,9-10,17H2,2H3
InChIKeyQEOBBHCNWKLUGS-UHFFFAOYSA-N
MW377.50 g/mol
LogP6.93
Rot. Bonds10

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

2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline (PubChem CID 67637994) has the molecular formula C25H28FNO and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline.

Molecular Properties

Compound Name2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline
PubChem CID67637994
Molecular FormulaC25H28FNO
Molecular Weight377.50 g/mol
Exact Mass377.22
IUPAC Name2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline
SMILESC=CCOc1cc(CCCCCC(C)F)ccc1-c1ccc2ccccc2n1
InChIInChI=1S/C25H28FNO/c1-3-17-28-25-18-20(10-6-4-5-9-19(2)26)13-15-22(25)24-16-14-21-11-7-8-12-23(21)27-24/h3,7-8,11-16,18-19H,1,4-6,9-10,17H2,2H3
InChIKeyQEOBBHCNWKLUGS-UHFFFAOYSA-N
XLogP6.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.50
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-enylphenyl]quinoline
CID 67636311
3-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]pyridine
CID 67638405
1-(6-fluoroheptyl)-4-(4-prop-2-enoxyphenyl)benzene
CID 67636516
6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline
CID 67636557
3-[4-(6-fluoroheptyl)phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70128253
4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
CID 54520088
2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine
CID 67637585
3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine
CID 67637563
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
CID 122600309
7-[2,3-difluoro-4-(6-prop-2-enoxyquinolin-2-yl)phenyl]hept-6-en-2-ol
CID 70260925
2-(5,5-difluoropentyl)naphthalene
CID 68979271

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline?
The IUPAC name of 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline (CID 67637994) is 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline.
What is the SMILES notation for 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline?
The canonical SMILES for 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline is C=CCOc1cc(CCCCCC(C)F)ccc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline?
The InChIKey is QEOBBHCNWKLUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO/c1-3-17-28-25-18-20(10-6-4-5-9-19(2)26)13-15-22(25)24-16-14-21-11-7-8-12-23(21)27-24/h3,7-8,11-16,18-19H,1,4-6,9-10,17H2,2H3.
What are the key properties of 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline?
2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline has a molecular weight of 377.50 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline is sourced from PubChem (CID 67637994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).