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

C21H17NO4 — CID 3895723

IUPAC2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCOc1ccc2cc(-c3cc(C(=O)O)c4cc(C)cc(C)c4n3)oc2c1
InChIInChI=1S/C21H17NO4/c1-11-6-12(2)20-15(7-11)16(21(23)24)10-17(22-20)19-8-13-4-5-14(25-3)9-18(13)26-19/h4-10H,1-3H3,(H,23,24)
InChIKeyRIAWTBQMUUJQAL-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.97
Rot. Bonds3

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

2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid (PubChem CID 3895723) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
PubChem CID3895723
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCOc1ccc2cc(-c3cc(C(=O)O)c4cc(C)cc(C)c4n3)oc2c1
InChIInChI=1S/C21H17NO4/c1-11-6-12(2)20-15(7-11)16(21(23)24)10-17(22-20)19-8-13-4-5-14(25-3)9-18(13)26-19/h4-10H,1-3H3,(H,23,24)
InChIKeyRIAWTBQMUUJQAL-UHFFFAOYSA-N
XLogP4.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 104653273
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-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054
2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779377
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779379
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 25218882
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid (CID 3895723) is 2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid is COc1ccc2cc(-c3cc(C(=O)O)c4cc(C)cc(C)c4n3)oc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is RIAWTBQMUUJQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-11-6-12(2)20-15(7-11)16(21(23)24)10-17(22-20)19-8-13-4-5-14(25-3)9-18(13)26-19/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
2-(6-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 4.97, 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)-6,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 3895723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).