6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

C19H11Cl2NO4 — CID 5028498

IUPAC6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCOc1cccc2cc(-c3cc(C(=O)O)c4cc(Cl)cc(Cl)c4n3)oc12
InChIInChI=1S/C19H11Cl2NO4/c1-25-15-4-2-3-9-5-16(26-18(9)15)14-8-12(19(23)24)11-6-10(20)7-13(21)17(11)22-14/h2-8H,1H3,(H,23,24)
InChIKeyXYKIGJASWGTRBB-UHFFFAOYSA-N
MW388.21 g/mol
LogP5.66
Rot. Bonds3

About 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid (PubChem CID 5028498) has the molecular formula C19H11Cl2NO4 and a molecular weight of 388.21 g/mol. Its IUPAC name is 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
PubChem CID5028498
Molecular FormulaC19H11Cl2NO4
Molecular Weight388.21 g/mol
Exact Mass387.01
IUPAC Name6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
SMILESCOc1cccc2cc(-c3cc(C(=O)O)c4cc(Cl)cc(Cl)c4n3)oc12
InChIInChI=1S/C19H11Cl2NO4/c1-25-15-4-2-3-9-5-16(26-18(9)15)14-8-12(19(23)24)11-6-10(20)7-13(21)17(11)22-14/h2-8H,1H3,(H,23,24)
InChIKeyXYKIGJASWGTRBB-UHFFFAOYSA-N
XLogP5.66
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.21
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4689078
2-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 3995413
6-(azepan-1-ylsulfonyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5123475
6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 3588833
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
2-(5-bromo-1-benzofuran-2-yl)-8-chloroquinoline-4-carboxylic acid
CID 4265645
1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea
CID 30349488
N-[3-(7-methoxy-1-benzofuran-2-yl)-1,2-oxazol-5-yl]benzamide
CID 71480978
4-(7-methoxy-1-benzofuran-2-yl)pyrimidin-2-amine
CID 1480563
8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
2-(7-methoxy-1-benzofuran-2-yl)pyridin-4-amine
CID 115113768

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid (CID 5028498) is 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid is COc1cccc2cc(-c3cc(C(=O)O)c4cc(Cl)cc(Cl)c4n3)oc12.
What is the InChIKey of 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
The InChIKey is XYKIGJASWGTRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2NO4/c1-25-15-4-2-3-9-5-16(26-18(9)15)14-8-12(19(23)24)11-6-10(20)7-13(21)17(11)22-14/h2-8H,1H3,(H,23,24).
What are the key properties of 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid?
6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid has a molecular weight of 388.21 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 5028498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).