4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline

C17H11Cl2N — CID 5478230

IUPAC4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline
SMILESClc1cccc(Cl)c1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C17H11Cl2N/c18-15-5-3-6-16(19)14(15)9-8-12-10-11-20-17-7-2-1-4-13(12)17/h1-11H/b9-8+
InChIKeyYHEKRXSJGBGFHE-CMDGGOBGSA-N
MW300.19 g/mol
LogP5.71
Rot. Bonds2

About 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline

4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline (PubChem CID 5478230) has the molecular formula C17H11Cl2N and a molecular weight of 300.19 g/mol. Its IUPAC name is 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline
PubChem CID5478230
Molecular FormulaC17H11Cl2N
Molecular Weight300.19 g/mol
Exact Mass299.03
IUPAC Name4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline
SMILESClc1cccc(Cl)c1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C17H11Cl2N/c18-15-5-3-6-16(19)14(15)9-8-12-10-11-20-17-7-2-1-4-13(12)17/h1-11H/b9-8+
InChIKeyYHEKRXSJGBGFHE-CMDGGOBGSA-N
XLogP5.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.19
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
CID 58870156
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
(E)-3-quinolin-4-ylprop-2-enal
CID 10419846
(E)-3-quinolin-4-ylprop-2-en-1-ol
CID 22631016
4-[(Z)-2-(1H-indol-3-yl)ethenyl]quinoline
CID 54609523
4-[(E)-2-(1-methylindol-3-yl)ethenyl]quinoline
CID 6282159
trimethyl-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]azanium
CID 53315508
4-(3-methylbuta-1,3-dienyl)quinoline
CID 123171644
N-(2-quinolin-4-ylethenyl)aniline
CID 154091983
4-chloroquinoline;ethane
CID 91461667
N-methyl-1-quinolin-4-ylmethanimine
CID 119086177

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline?
The IUPAC name of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline (CID 5478230) is 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline.
What is the SMILES notation for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline?
The canonical SMILES for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline is Clc1cccc(Cl)c1/C=C/c1ccnc2ccccc12.
What is the InChIKey of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline?
The InChIKey is YHEKRXSJGBGFHE-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H11Cl2N/c18-15-5-3-6-16(19)14(15)9-8-12-10-11-20-17-7-2-1-4-13(12)17/h1-11H/b9-8+.
What are the key properties of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline?
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline has a molecular weight of 300.19 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline is sourced from PubChem (CID 5478230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).