2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid

C19H15NO4 — CID 4779971

IUPAC2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
SMILESCOc1ccc(C=Cc2cc(C(=O)O)c3ccccc3n2)cc1O
InChIInChI=1S/C19H15NO4/c1-24-18-9-7-12(10-17(18)21)6-8-13-11-15(19(22)23)14-4-2-3-5-16(14)20-13/h2-11,21H,1H3,(H,22,23)
InChIKeyKOIVFCXONCQFNG-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid

2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 4779971) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
PubChem CID4779971
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
SMILESCOc1ccc(C=Cc2cc(C(=O)O)c3ccccc3n2)cc1O
InChIInChI=1S/C19H15NO4/c1-24-18-9-7-12(10-17(18)21)6-8-13-11-15(19(22)23)14-4-2-3-5-16(14)20-13/h2-11,21H,1H3,(H,22,23)
InChIKeyKOIVFCXONCQFNG-UHFFFAOYSA-N
XLogP3.82
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 135593934
2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 8020196
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid
CID 6211924
2-[(E)-2-(3-butoxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7971613
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
CID 135749986
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-(4-methyl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 9446901
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
CID 6299494

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid (CID 4779971) is 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid is COc1ccc(C=Cc2cc(C(=O)O)c3ccccc3n2)cc1O.
What is the InChIKey of 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is KOIVFCXONCQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-24-18-9-7-12(10-17(18)21)6-8-13-11-15(19(22)23)14-4-2-3-5-16(14)20-13/h2-11,21H,1H3,(H,22,23).
What are the key properties of 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid?
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 4779971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).