2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid

C20H19NO5 — CID 651645

IUPAC2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
SMILESCCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C20H19NO5/c1-4-26-13-6-7-16-14(10-13)15(20(22)23)11-17(21-16)12-5-8-18(24-2)19(9-12)25-3/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyCWKAMDYAZQXJBS-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.02
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid

2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid (PubChem CID 651645) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
PubChem CID651645
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
SMILESCCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1
InChIInChI=1S/C20H19NO5/c1-4-26-13-6-7-16-14(10-13)15(20(22)23)11-17(21-16)12-5-8-18(24-2)19(9-12)25-3/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyCWKAMDYAZQXJBS-UHFFFAOYSA-N
XLogP4.02
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid (CID 651645) is 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid is CCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid?
The InChIKey is CWKAMDYAZQXJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-4-26-13-6-7-16-14(10-13)15(20(22)23)11-17(21-16)12-5-8-18(24-2)19(9-12)25-3/h5-11H,4H2,1-3H3,(H,22,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid?
2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 651645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).