2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate

C18H11ClNO2- — CID 7918900

IUPAC2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
SMILESO=C([O-])c1cc(/C=C/c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H12ClNO2/c19-16-7-3-1-5-12(16)9-10-13-11-15(18(21)22)14-6-2-4-8-17(14)20-13/h1-11H,(H,21,22)/p-1/b10-9+
InChIKeyIFPIKTQCRIGVNH-MDZDMXLPSA-M
MW308.74 g/mol
LogP3.42
Rot. Bonds3

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

2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate (PubChem CID 7918900) has the molecular formula C18H11ClNO2- and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
PubChem CID7918900
Molecular FormulaC18H11ClNO2-
Molecular Weight308.74 g/mol
Exact Mass308.05
IUPAC Name2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
SMILESO=C([O-])c1cc(/C=C/c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H12ClNO2/c19-16-7-3-1-5-12(16)9-10-13-11-15(18(21)22)14-6-2-4-8-17(14)20-13/h1-11H,(H,21,22)/p-1/b10-9+
InChIKeyIFPIKTQCRIGVNH-MDZDMXLPSA-M
XLogP3.42
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
CID 9031188
2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
CID 7988327
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
CID 135749986
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7895126
2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 4736319
2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 8020196
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7963022
2-[(E)-2-(3-butoxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7971613

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate (CID 7918900) is 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate is O=C([O-])c1cc(/C=C/c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate?
The InChIKey is IFPIKTQCRIGVNH-MDZDMXLPSA-M. The full InChI is InChI=1S/C18H12ClNO2/c19-16-7-3-1-5-12(16)9-10-13-11-15(18(21)22)14-6-2-4-8-17(14)20-13/h1-11H,(H,21,22)/p-1/b10-9+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate?
2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate has a molecular weight of 308.74 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate is sourced from PubChem (CID 7918900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).