2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid

C14H6BrCl2NO3 — CID 106988492

IUPAC2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)o2)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C14H6BrCl2NO3/c15-11-4-3-10(21-11)9-5-6(14(19)20)12-7(16)1-2-8(17)13(12)18-9/h1-5H,(H,19,20)
InChIKeyYFNOKPZAVJLPKA-UHFFFAOYSA-N
MW387.02 g/mol
LogP5.26
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid

2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid (PubChem CID 106988492) has the molecular formula C14H6BrCl2NO3 and a molecular weight of 387.02 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
PubChem CID106988492
Molecular FormulaC14H6BrCl2NO3
Molecular Weight387.02 g/mol
Exact Mass384.89
IUPAC Name2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Br)o2)nc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C14H6BrCl2NO3/c15-11-4-3-10(21-11)9-5-6(14(19)20)12-7(16)1-2-8(17)13(12)18-9/h1-5H,(H,19,20)
InChIKeyYFNOKPZAVJLPKA-UHFFFAOYSA-N
XLogP5.26
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.02
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 104653273
2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 104653272
2-(5-bromo-1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 4034964
5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 106988523
5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 106988454
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 5024096
3-(5-bromofuran-2-yl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127210
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4689078
2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid
CID 82168601
2-(5-bromo-1-benzofuran-2-yl)-8-chloroquinoline-4-carboxylic acid
CID 4265645
2-[5-(3,4-dichlorophenyl)furan-2-yl]quinoline-4-carboxylic acid
CID 1177430

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid (CID 106988492) is 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Br)o2)nc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid?
The InChIKey is YFNOKPZAVJLPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl2NO3/c15-11-4-3-10(21-11)9-5-6(14(19)20)12-7(16)1-2-8(17)13(12)18-9/h1-5H,(H,19,20).
What are the key properties of 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid?
2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid has a molecular weight of 387.02 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid is sourced from PubChem (CID 106988492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).