6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid

C20H15NO4 — CID 69110989

IUPAC6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCOc1ccc2nc(-c3cc4cc(C)ccc4o3)cc(C(=O)O)c2c1
InChIInChI=1S/C20H15NO4/c1-11-3-6-18-12(7-11)8-19(25-18)17-10-15(20(22)23)14-9-13(24-2)4-5-16(14)21-17/h3-10H,1-2H3,(H,22,23)
InChIKeyKRWFLHVYBJOMLS-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.66
Rot. Bonds3

About 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid

6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid (PubChem CID 69110989) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
PubChem CID69110989
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCOc1ccc2nc(-c3cc4cc(C)ccc4o3)cc(C(=O)O)c2c1
InChIInChI=1S/C20H15NO4/c1-11-3-6-18-12(7-11)8-19(25-18)17-10-15(20(22)23)14-9-13(24-2)4-5-16(14)21-17/h3-10H,1-2H3,(H,22,23)
InChIKeyKRWFLHVYBJOMLS-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

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Related Compounds

2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
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-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 3895723
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 5115060
6-butyl-2-(5-chloro-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 3909464
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid (CID 69110989) is 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid is COc1ccc2nc(-c3cc4cc(C)ccc4o3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The InChIKey is KRWFLHVYBJOMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-11-3-6-18-12(7-11)8-19(25-18)17-10-15(20(22)23)14-9-13(24-2)4-5-16(14)21-17/h3-10H,1-2H3,(H,22,23).
What are the key properties of 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-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 6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 69110989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).