2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid

C19H17NO5 — CID 718631

IUPAC2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-23-16-8-11(9-17(24-2)18(16)25-3)15-10-13(19(21)22)12-6-4-5-7-14(12)20-15/h4-10H,1-3H3,(H,21,22)
InChIKeyHSUYVVQQTJCCFA-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.63
Rot. Bonds5

About 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid

2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 718631) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID718631
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C19H17NO5/c1-23-16-8-11(9-17(24-2)18(16)25-3)15-10-13(19(21)22)12-6-4-5-7-14(12)20-15/h4-10H,1-3H3,(H,21,22)
InChIKeyHSUYVVQQTJCCFA-UHFFFAOYSA-N
XLogP3.63
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
[6-(3-Hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 138857390
CID 45139825
CID 45139825
8-Methoxy-2-phenylquinoline-4-carboxylic acid
CID 707375
2,3-Dimethylphenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1739332
3-[(3,4,5-trimethoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 6247103
6-Methoxy-2-phenyl-4-quinolinecarboxylic acid
CID 237402
2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 247361
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid (CID 718631) is 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid is COc1cc(-c2cc(C(=O)O)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is HSUYVVQQTJCCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-16-8-11(9-17(24-2)18(16)25-3)15-10-13(19(21)22)12-6-4-5-7-14(12)20-15/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid?
2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 718631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).