5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid

C20H14ClNO4 — CID 4689078

IUPAC5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCOc1cccc2cc(-c3cc(C(=O)O)c4c(Cl)ccc(C)c4n3)oc12
InChIInChI=1S/C20H14ClNO4/c1-10-6-7-13(21)17-12(20(23)24)9-14(22-18(10)17)16-8-11-4-3-5-15(25-2)19(11)26-16/h3-9H,1-2H3,(H,23,24)
InChIKeyMIRNCPMHQQINCX-UHFFFAOYSA-N
MW367.79 g/mol
LogP5.32
Rot. Bonds3

About 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid

5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid (PubChem CID 4689078) has the molecular formula C20H14ClNO4 and a molecular weight of 367.79 g/mol. Its IUPAC name is 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
PubChem CID4689078
Molecular FormulaC20H14ClNO4
Molecular Weight367.79 g/mol
Exact Mass367.06
IUPAC Name5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
SMILESCOc1cccc2cc(-c3cc(C(=O)O)c4c(Cl)ccc(C)c4n3)oc12
InChIInChI=1S/C20H14ClNO4/c1-10-6-7-13(21)17-12(20(23)24)9-14(22-18(10)17)16-8-11-4-3-5-15(25-2)19(11)26-16/h3-9H,1-2H3,(H,23,24)
InChIKeyMIRNCPMHQQINCX-UHFFFAOYSA-N
XLogP5.32
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.79
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 3995413
6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5028498
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 5024096
2-(5-bromo-1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 4034964
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
6-(azepan-1-ylsulfonyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5123475
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091
6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 3588833
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
5-methoxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 140923725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid (CID 4689078) is 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid is COc1cccc2cc(-c3cc(C(=O)O)c4c(Cl)ccc(C)c4n3)oc12.
What is the InChIKey of 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is MIRNCPMHQQINCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO4/c1-10-6-7-13(21)17-12(20(23)24)9-14(22-18(10)17)16-8-11-4-3-5-15(25-2)19(11)26-16/h3-9H,1-2H3,(H,23,24).
What are the key properties of 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid?
5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 367.79 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 4689078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).