4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate

C18H11ClNO4- — CID 135749986

IUPAC4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
SMILESO=C(O)c1cc(/C=C/c2cc(O)c([O-])c(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H12ClNO4/c19-14-7-10(8-16(21)17(14)22)5-6-11-9-13(18(23)24)12-3-1-2-4-15(12)20-11/h1-9,21-22H,(H,23,24)/p-1/b6-5+
InChIKeyQZZMCNVCNTUHQO-AATRIKPKSA-M
MW340.74 g/mol
LogP3.54
Rot. Bonds3

About 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate

4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate (PubChem CID 135749986) has the molecular formula C18H11ClNO4- and a molecular weight of 340.74 g/mol. Its IUPAC name is 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate.

Molecular Properties

Compound Name4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
PubChem CID135749986
Molecular FormulaC18H11ClNO4-
Molecular Weight340.74 g/mol
Exact Mass340.04
IUPAC Name4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
SMILESO=C(O)c1cc(/C=C/c2cc(O)c([O-])c(Cl)c2)nc2ccccc12
InChIInChI=1S/C18H12ClNO4/c19-14-7-10(8-16(21)17(14)22)5-6-11-9-13(18(23)24)12-3-1-2-4-15(12)20-11/h1-9,21-22H,(H,23,24)/p-1/b6-5+
InChIKeyQZZMCNVCNTUHQO-AATRIKPKSA-M
XLogP3.54
TPSA93.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
CID 6299494
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
2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
CID 7918900
2-[2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 4736319
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 135593934
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 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate?
The IUPAC name of 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate (CID 135749986) is 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate.
What is the SMILES notation for 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate?
The canonical SMILES for 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate is O=C(O)c1cc(/C=C/c2cc(O)c([O-])c(Cl)c2)nc2ccccc12.
What is the InChIKey of 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate?
The InChIKey is QZZMCNVCNTUHQO-AATRIKPKSA-M. The full InChI is InChI=1S/C18H12ClNO4/c19-14-7-10(8-16(21)17(14)22)5-6-11-9-13(18(23)24)12-3-1-2-4-15(12)20-11/h1-9,21-22H,(H,23,24)/p-1/b6-5+.
What are the key properties of 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate?
4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate has a molecular weight of 340.74 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate is sourced from PubChem (CID 135749986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).