4-(6,7-dimethoxyquinolin-3-yl)benzoic acid

C18H15NO4 — CID 10244811

IUPAC4-(6,7-dimethoxyquinolin-3-yl)benzoic acid
SMILESCOc1cc2cc(-c3ccc(C(=O)O)cc3)cnc2cc1OC
InChIInChI=1S/C18H15NO4/c1-22-16-8-13-7-14(10-19-15(13)9-17(16)23-2)11-3-5-12(6-4-11)18(20)21/h3-10H,1-2H3,(H,20,21)
InChIKeyYEEIRSIWKQULLK-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.62
Rot. Bonds4

About 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid

4-(6,7-dimethoxyquinolin-3-yl)benzoic acid (PubChem CID 10244811) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinolin-3-yl)benzoic acid
PubChem CID10244811
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name4-(6,7-dimethoxyquinolin-3-yl)benzoic acid
SMILESCOc1cc2cc(-c3ccc(C(=O)O)cc3)cnc2cc1OC
InChIInChI=1S/C18H15NO4/c1-22-16-8-13-7-14(10-19-15(13)9-17(16)23-2)11-3-5-12(6-4-11)18(20)21/h3-10H,1-2H3,(H,20,21)
InChIKeyYEEIRSIWKQULLK-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

Analyze 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid?
The IUPAC name of 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid (CID 10244811) is 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid.
What is the SMILES notation for 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid?
The canonical SMILES for 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid is COc1cc2cc(-c3ccc(C(=O)O)cc3)cnc2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid?
The InChIKey is YEEIRSIWKQULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-16-8-13-7-14(10-19-15(13)9-17(16)23-2)11-3-5-12(6-4-11)18(20)21/h3-10H,1-2H3,(H,20,21).
What are the key properties of 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid?
4-(6,7-dimethoxyquinolin-3-yl)benzoic 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 4-(6,7-dimethoxyquinolin-3-yl)benzoic acid is sourced from PubChem (CID 10244811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).