2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline

C24H18BrNO — CID 19590683

IUPAC2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline
SMILESBrc1ccc(COc2ccccc2/C=C/c2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H18BrNO/c25-21-13-9-18(10-14-21)17-27-24-8-4-2-6-20(24)12-16-22-15-11-19-5-1-3-7-23(19)26-22/h1-16H,17H2/b16-12+
InChIKeyCNKKCEAAGMQVOH-FOWTUZBSSA-N
MW416.32 g/mol
LogP6.75
Rot. Bonds5

About 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline

2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline (PubChem CID 19590683) has the molecular formula C24H18BrNO and a molecular weight of 416.32 g/mol. Its IUPAC name is 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline
PubChem CID19590683
Molecular FormulaC24H18BrNO
Molecular Weight416.32 g/mol
Exact Mass415.06
IUPAC Name2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline
SMILESBrc1ccc(COc2ccccc2/C=C/c2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H18BrNO/c25-21-13-9-18(10-14-21)17-27-24-8-4-2-6-20(24)12-16-22-15-11-19-5-1-3-7-23(19)26-22/h1-16H,17H2/b16-12+
InChIKeyCNKKCEAAGMQVOH-FOWTUZBSSA-N
XLogP6.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline
CID 52643093
5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
CID 3395564
2-[(E)-2-(4-bromo-2-fluorophenyl)ethenyl]quinoline
CID 7945982
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
7-bromo-2-[(E)-2-[2-[3-(2H-tetrazol-5-yl)propoxy]phenyl]ethenyl]quinoline
CID 70504652
2-[(E)-2-(2,4-didodecoxyphenyl)ethenyl]quinoline
CID 14070072
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-8-phenylmethoxyquinoline
CID 11839791
ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
CID 93012870
2-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]quinolin-8-ol
CID 24628167
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 3555583
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline (CID 19590683) is 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline is Brc1ccc(COc2ccccc2/C=C/c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline?
The InChIKey is CNKKCEAAGMQVOH-FOWTUZBSSA-N. The full InChI is InChI=1S/C24H18BrNO/c25-21-13-9-18(10-14-21)17-27-24-8-4-2-6-20(24)12-16-22-15-11-19-5-1-3-7-23(19)26-22/h1-16H,17H2/b16-12+.
What are the key properties of 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline?
2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline has a molecular weight of 416.32 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline is sourced from PubChem (CID 19590683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).