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

C25H16Cl3N — CID 175683957

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline
SMILESClc1ccc(/C=C/c2cc(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C25H16Cl3N/c26-20-11-6-17(7-12-20)5-8-19-15-22(29-25-4-2-1-3-23(19)25)14-10-18-9-13-21(27)16-24(18)28/h1-16H/b8-5+,14-10+
InChIKeyNGVGSPARKFYOKZ-HNTZWPLZSA-N
MW436.77 g/mol
LogP8.54
Rot. Bonds4

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

4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline (PubChem CID 175683957) has the molecular formula C25H16Cl3N and a molecular weight of 436.77 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline
PubChem CID175683957
Molecular FormulaC25H16Cl3N
Molecular Weight436.77 g/mol
Exact Mass435.03
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline
SMILESClc1ccc(/C=C/c2cc(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C25H16Cl3N/c26-20-11-6-17(7-12-20)5-8-19-15-22(29-25-4-2-1-3-23(19)25)14-10-18-9-13-21(27)16-24(18)28/h1-16H/b8-5+,14-10+
InChIKeyNGVGSPARKFYOKZ-HNTZWPLZSA-N
XLogP8.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline (CID 175683957) is 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline is Clc1ccc(/C=C/c2cc(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc23)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline?
The InChIKey is NGVGSPARKFYOKZ-HNTZWPLZSA-N. The full InChI is InChI=1S/C25H16Cl3N/c26-20-11-6-17(7-12-20)5-8-19-15-22(29-25-4-2-1-3-23(19)25)14-10-18-9-13-21(27)16-24(18)28/h1-16H/b8-5+,14-10+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline?
4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline has a molecular weight of 436.77 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline is sourced from PubChem (CID 175683957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).