2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline

C17H11BrFN — CID 7945992

IUPAC2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline
SMILESFc1ccc(/C=C/c2ccc3ccccc3n2)cc1Br
InChIInChI=1S/C17H11BrFN/c18-15-11-12(6-10-16(15)19)5-8-14-9-7-13-3-1-2-4-17(13)20-14/h1-11H/b8-5+
InChIKeyRJHFYSXGVDGIDE-VMPITWQZSA-N
MW328.18 g/mol
LogP5.31
Rot. Bonds2

About 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline

2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline (PubChem CID 7945992) has the molecular formula C17H11BrFN and a molecular weight of 328.18 g/mol. Its IUPAC name is 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline
PubChem CID7945992
Molecular FormulaC17H11BrFN
Molecular Weight328.18 g/mol
Exact Mass327.01
IUPAC Name2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline
SMILESFc1ccc(/C=C/c2ccc3ccccc3n2)cc1Br
InChIInChI=1S/C17H11BrFN/c18-15-11-12(6-10-16(15)19)5-8-14-9-7-13-3-1-2-4-17(13)20-14/h1-11H/b8-5+
InChIKeyRJHFYSXGVDGIDE-VMPITWQZSA-N
XLogP5.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.18
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline
CID 7945982
2-[(E)-2-(1H-indol-5-yl)ethenyl]quinoline
CID 142044528
2-[2-(3-bromo-4,5-diethoxyphenyl)ethenyl]quinoline
CID 2961249
trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
CID 2750433
2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
6,7-difluoro-2-(2-phenylethenyl)quinoline
CID 57258860
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline
CID 56649871
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-(2-thiophen-3-ylethenyl)quinoline
CID 3618780

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline (CID 7945992) is 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline is Fc1ccc(/C=C/c2ccc3ccccc3n2)cc1Br.
What is the InChIKey of 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline?
The InChIKey is RJHFYSXGVDGIDE-VMPITWQZSA-N. The full InChI is InChI=1S/C17H11BrFN/c18-15-11-12(6-10-16(15)19)5-8-14-9-7-13-3-1-2-4-17(13)20-14/h1-11H/b8-5+.
What are the key properties of 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline?
2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline has a molecular weight of 328.18 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline is sourced from PubChem (CID 7945992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).