2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid

C20H14BrNO3 — CID 4234786

IUPAC2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)cc(-c3cc4cc(Br)ccc4o3)nc12
InChIInChI=1S/C20H14BrNO3/c1-2-11-4-3-5-14-15(20(23)24)10-16(22-19(11)14)18-9-12-8-13(21)6-7-17(12)25-18/h3-10H,2H2,1H3,(H,23,24)
InChIKeyLGBAEHHASHWISE-UHFFFAOYSA-N
MW396.24 g/mol
LogP5.67
Rot. Bonds3

About 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid

2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid (PubChem CID 4234786) has the molecular formula C20H14BrNO3 and a molecular weight of 396.24 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
PubChem CID4234786
Molecular FormulaC20H14BrNO3
Molecular Weight396.24 g/mol
Exact Mass395.02
IUPAC Name2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)cc(-c3cc4cc(Br)ccc4o3)nc12
InChIInChI=1S/C20H14BrNO3/c1-2-11-4-3-5-14-15(20(23)24)10-16(22-19(11)14)18-9-12-8-13(21)6-7-17(12)25-18/h3-10H,2H2,1H3,(H,23,24)
InChIKeyLGBAEHHASHWISE-UHFFFAOYSA-N
XLogP5.67
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.24
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-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-(5-bromo-1-benzofuran-2-yl)-8-chloroquinoline-4-carboxylic acid
CID 4265645
2-(5-bromo-1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 4034964
2-(5-chloro-1-benzofuran-2-yl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4039688
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
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
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3578967
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid (CID 4234786) is 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid is CCc1cccc2c(C(=O)O)cc(-c3cc4cc(Br)ccc4o3)nc12.
What is the InChIKey of 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid?
The InChIKey is LGBAEHHASHWISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO3/c1-2-11-4-3-5-14-15(20(23)24)10-16(22-19(11)14)18-9-12-8-13(21)6-7-17(12)25-18/h3-10H,2H2,1H3,(H,23,24).
What are the key properties of 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid?
2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid has a molecular weight of 396.24 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid is sourced from PubChem (CID 4234786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).