2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid

C18H12ClNO2 — CID 7720796

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C18H12ClNO2/c19-13-8-5-12(6-9-13)7-10-14-11-16(18(21)22)15-3-1-2-4-17(15)20-14/h1-11H,(H,21,22)/b10-7+
InChIKeyVVGMEZKJOLVTIA-JXMROGBWSA-N
MW309.75 g/mol
LogP4.76
Rot. Bonds3

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

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 7720796) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
PubChem CID7720796
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C18H12ClNO2/c19-13-8-5-12(6-9-13)7-10-14-11-16(18(21)22)15-3-1-2-4-17(15)20-14/h1-11H,(H,21,22)/b10-7+
InChIKeyVVGMEZKJOLVTIA-JXMROGBWSA-N
XLogP4.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3875764
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3340694
6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 57361735
4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
CID 135749986
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
CID 6299494
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
4-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoline
CID 175683957
2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
CID 7988327
2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 9446901
4-chloro-2-[(E)-2-phenylethenyl]quinoline
CID 18432979
2-[(E)-2-[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]ethenyl]quinoline-4-carboxylic acid
CID 47073891
2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16959770

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid (CID 7720796) is 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(/C=C/c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is VVGMEZKJOLVTIA-JXMROGBWSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-13-8-5-12(6-9-13)7-10-14-11-16(18(21)22)15-3-1-2-4-17(15)20-14/h1-11H,(H,21,22)/b10-7+.
What are the key properties of 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid?
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 309.75 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 7720796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).