2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid

C20H15NO4 — CID 4611489

IUPAC2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCOc1ccc2cc(-c3cc(C(=O)O)c4cccc(C)c4n3)oc2c1
InChIInChI=1S/C20H15NO4/c1-11-4-3-5-14-15(20(22)23)10-16(21-19(11)14)18-8-12-6-7-13(24-2)9-17(12)25-18/h3-10H,1-2H3,(H,22,23)
InChIKeyAFIUAFJYMDIUBK-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.66
Rot. Bonds3

About 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid

2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid (PubChem CID 4611489) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
PubChem CID4611489
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCOc1ccc2cc(-c3cc(C(=O)O)c4cccc(C)c4n3)oc2c1
InChIInChI=1S/C20H15NO4/c1-11-4-3-5-14-15(20(22)23)10-16(21-19(11)14)18-8-12-6-7-13(24-2)9-17(12)25-18/h3-10H,1-2H3,(H,22,23)
InChIKeyAFIUAFJYMDIUBK-UHFFFAOYSA-N
XLogP4.66
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 3895723
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
2-(5-methoxy-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 4006180
2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 104653272
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
2-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 3995413
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 5024096
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4041653
2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3578967
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4689078

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid (CID 4611489) is 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid is COc1ccc2cc(-c3cc(C(=O)O)c4cccc(C)c4n3)oc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is AFIUAFJYMDIUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-11-4-3-5-14-15(20(22)23)10-16(21-19(11)14)18-8-12-6-7-13(24-2)9-17(12)25-18/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 4611489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).