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

C20H14NO4- — CID 9031188

IUPAC2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
SMILESCOC(=O)c1ccccc1/C=C/c1cc(C(=O)[O-])c2ccccc2n1
InChIInChI=1S/C20H15NO4/c1-25-20(24)15-7-3-2-6-13(15)10-11-14-12-17(19(22)23)16-8-4-5-9-18(16)21-14/h2-12H,1H3,(H,22,23)/p-1/b11-10+
InChIKeyQJKAMJVNAJWPQQ-ZHACJKMWSA-M
MW332.34 g/mol
LogP2.56
Rot. Bonds4

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

2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate (PubChem CID 9031188) has the molecular formula C20H14NO4- and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Name2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
PubChem CID9031188
Molecular FormulaC20H14NO4-
Molecular Weight332.34 g/mol
Exact Mass332.09
IUPAC Name2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
SMILESCOC(=O)c1ccccc1/C=C/c1cc(C(=O)[O-])c2ccccc2n1
InChIInChI=1S/C20H15NO4/c1-25-20(24)15-7-3-2-6-13(15)10-11-14-12-17(19(22)23)16-8-4-5-9-18(16)21-14/h2-12H,1H3,(H,22,23)/p-1/b11-10+
InChIKeyQJKAMJVNAJWPQQ-ZHACJKMWSA-M
XLogP2.56
TPSA79.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-2-(2-chlorophenyl)ethenyl]quinoline-4-carboxylate
CID 7918900
methyl 2-ethenylquinoline-4-carboxylate
CID 150736988
2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7895126
2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
CID 7988327
2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 8020196
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
2-[(E)-2-(3-butoxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7971613
2-[(E)-2-(1-acetylindol-3-yl)ethenyl]quinoline-4-carboxylic acid
CID 6229114
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7963022
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 135593934

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate?
The IUPAC name of 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate (CID 9031188) is 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate.
What is the SMILES notation for 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate?
The canonical SMILES for 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate is COC(=O)c1ccccc1/C=C/c1cc(C(=O)[O-])c2ccccc2n1.
What is the InChIKey of 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate?
The InChIKey is QJKAMJVNAJWPQQ-ZHACJKMWSA-M. The full InChI is InChI=1S/C20H15NO4/c1-25-20(24)15-7-3-2-6-13(15)10-11-14-12-17(19(22)23)16-8-4-5-9-18(16)21-14/h2-12H,1H3,(H,22,23)/p-1/b11-10+.
What are the key properties of 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate?
2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate has a molecular weight of 332.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate is sourced from PubChem (CID 9031188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).