2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid

C20H17NO4 — CID 91943397

IUPAC2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid
SMILESCOc1cccc(C=Cc2ccc3cc(C(=O)O)ccc3n2)c1OC
InChIInChI=1S/C20H17NO4/c1-24-18-5-3-4-13(19(18)25-2)6-9-16-10-7-14-12-15(20(22)23)8-11-17(14)21-16/h3-12H,1-2H3,(H,22,23)
InChIKeyMTERTUMRQQBUQT-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid

2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid (PubChem CID 91943397) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid
PubChem CID91943397
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid
SMILESCOc1cccc(C=Cc2ccc3cc(C(=O)O)ccc3n2)c1OC
InChIInChI=1S/C20H17NO4/c1-24-18-5-3-4-13(19(18)25-2)6-9-16-10-7-14-12-15(20(22)23)8-11-17(14)21-16/h3-12H,1-2H3,(H,22,23)
InChIKeyMTERTUMRQQBUQT-UHFFFAOYSA-N
XLogP4.12
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid
CID 34046386
[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135840
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]quinoline-6-carboxylic acid
CID 135432892
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 7528482
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
1-(3,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 5063512
4-[(Z)-2-(2,3-dimethoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 92912284
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
3-(6-methoxyquinolin-2-yl)prop-2-enoic acid
CID 68678260
N-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-N-phenylbenzamide
CID 24764082
2,3-dimethoxyquinoline-7-carboxylic acid
CID 67754459
6-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
CID 102239387

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid?
The IUPAC name of 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid (CID 91943397) is 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid?
The canonical SMILES for 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid is COc1cccc(C=Cc2ccc3cc(C(=O)O)ccc3n2)c1OC.
What is the InChIKey of 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid?
The InChIKey is MTERTUMRQQBUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-18-5-3-4-13(19(18)25-2)6-9-16-10-7-14-12-15(20(22)23)8-11-17(14)21-16/h3-12H,1-2H3,(H,22,23).
What are the key properties of 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid?
2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid is sourced from PubChem (CID 91943397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).