4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline

C17H11Cl2N — CID 146000729

IUPAC4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline
SMILESClc1ccc2nc(/C=C/c3ccccc3)cc(Cl)c2c1
InChIInChI=1S/C17H11Cl2N/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-11H/b8-6+
InChIKeyGOBYTUYMYMEVMB-SOFGYWHQSA-N
MW300.19 g/mol
LogP5.71
Rot. Bonds2

About 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline

4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline (PubChem CID 146000729) has the molecular formula C17H11Cl2N and a molecular weight of 300.19 g/mol. Its IUPAC name is 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline
PubChem CID146000729
Molecular FormulaC17H11Cl2N
Molecular Weight300.19 g/mol
Exact Mass299.03
IUPAC Name4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline
SMILESClc1ccc2nc(/C=C/c3ccccc3)cc(Cl)c2c1
InChIInChI=1S/C17H11Cl2N/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-11H/b8-6+
InChIKeyGOBYTUYMYMEVMB-SOFGYWHQSA-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-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 18432979
4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline
CID 175683957
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline
CID 146001018
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
6-chloro-N-[4-(4-methylpiperazin-1-yl)butyl]-2-[(E)-2-phenylethenyl]quinolin-4-amine
CID 162665698
6-chloro-2-(2-phenylethenyl)-1H-benzimidazole
CID 73193180
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 162670765
4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline
CID 125496720
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 57361735
6,7-dichloro-2-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-diethylquinolin-4-amine
CID 155814667

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline (CID 146000729) is 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline is Clc1ccc2nc(/C=C/c3ccccc3)cc(Cl)c2c1.
What is the InChIKey of 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline?
The InChIKey is GOBYTUYMYMEVMB-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H11Cl2N/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-11H/b8-6+.
What are the key properties of 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline?
4,6-dichloro-2-[(E)-2-phenylethenyl]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 4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 146000729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).