2-[(E)-2-(3-bromophenyl)ethenyl]quinoline

C17H12BrN — CID 5378705

IUPAC2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
SMILESBrc1cccc(/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C17H12BrN/c18-15-6-3-4-13(12-15)8-10-16-11-9-14-5-1-2-7-17(14)19-16/h1-12H/b10-8+
InChIKeyQEOILMJUYYTWBJ-CSKARUKUSA-N
MW310.19 g/mol
LogP5.17
Rot. Bonds2

About 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline

2-[(E)-2-(3-bromophenyl)ethenyl]quinoline (PubChem CID 5378705) has the molecular formula C17H12BrN and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
PubChem CID5378705
Molecular FormulaC17H12BrN
Molecular Weight310.19 g/mol
Exact Mass309.02
IUPAC Name2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
SMILESBrc1cccc(/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C17H12BrN/c18-15-6-3-4-13(12-15)8-10-16-11-9-14-5-1-2-7-17(14)19-16/h1-12H/b10-8+
InChIKeyQEOILMJUYYTWBJ-CSKARUKUSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.19
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline 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

2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline
CID 7945992
2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline
CID 7945982
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride
CID 19102588
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
2-[(E)-2-(1H-indol-5-yl)ethenyl]quinoline
CID 142044528
7-methyl-2-[(E)-2-(3-methylphenyl)ethenyl]quinoline
CID 145316477
2-(2-thiophen-3-ylethenyl)quinoline
CID 3618780
2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
CID 2750433

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline (CID 5378705) is 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline is Brc1cccc(/C=C/c2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline?
The InChIKey is QEOILMJUYYTWBJ-CSKARUKUSA-N. The full InChI is InChI=1S/C17H12BrN/c18-15-6-3-4-13(12-15)8-10-16-11-9-14-5-1-2-7-17(14)19-16/h1-12H/b10-8+.
What are the key properties of 2-[(E)-2-(3-bromophenyl)ethenyl]quinoline?
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline has a molecular weight of 310.19 g/mol, XLogP of 5.17, 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-bromophenyl)ethenyl]quinoline is sourced from PubChem (CID 5378705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).