2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid

C18H15NO4 — CID 673703

IUPAC2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1OC
InChIInChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(20)21)12-5-3-4-6-14(12)19-15/h3-10H,1-2H3,(H,20,21)
InChIKeyXJSXKUVHNQWOPH-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.62
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid

2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 673703) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID673703
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1OC
InChIInChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(20)21)12-5-3-4-6-14(12)19-15/h3-10H,1-2H3,(H,20,21)
InChIKeyXJSXKUVHNQWOPH-UHFFFAOYSA-N
XLogP3.62
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
Ethyl 6-methoxy-2-methylquinoline-3-carboxylate
CID 618636
(2s)-Tert-Butoxy[4-(3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44199168
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
8-Methoxy-2-phenylquinoline-4-carboxylic acid
CID 707375
6-Chloro-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 1746237
2-(3',4'-Dimethoxyphenylethyl)quinoline
CID 11483233
4-Nitrophenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1124656

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid (CID 673703) is 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is XJSXKUVHNQWOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(20)21)12-5-3-4-6-14(12)19-15/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid?
2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 673703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).