6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid

C14H8BrNO3 — CID 686152

IUPAC6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2ccc(Br)cc12
InChIInChI=1S/C14H8BrNO3/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyLZLBRWWWEBHEDO-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.96
Rot. Bonds2

About 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid

6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid (PubChem CID 686152) has the molecular formula C14H8BrNO3 and a molecular weight of 318.13 g/mol. Its IUPAC name is 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid
PubChem CID686152
Molecular FormulaC14H8BrNO3
Molecular Weight318.13 g/mol
Exact Mass316.97
IUPAC Name6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nc2ccc(Br)cc12
InChIInChI=1S/C14H8BrNO3/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyLZLBRWWWEBHEDO-UHFFFAOYSA-N
XLogP3.96
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Furan-2-yl)quinoline-4-carboxylic acid
CID 697640
2-(5-Methylfuran-2-yl)quinoline-4-carboxylic acid
CID 693021
(2-Amino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2372589
2-(2-Furyl)benzo[g]quinoline-4-carboxylic acid
CID 2731723
Methyl 2-(5-methyl-2-furyl)-4-quinolinecarboxylate
CID 842067
6-Bromo-2-(2-furyl)-4-quinolinecarboxylic acid
CID 23672178
6-Bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
CID 753116
2-Furan-2-yl-6,8-dimethyl-quinoline-4-carboxylic acid
CID 865220
2-(Furan-2-yl)-6-methylquinoline-4-carboxylic acid
CID 1133255
2-[5-(4-Fluorophenyl)furan-2-yl]quinoline-4-carboxylic acid
CID 698505
[2-(Diethylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2096417
[2-(Methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 4875638

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid (CID 686152) is 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccco2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid?
The InChIKey is LZLBRWWWEBHEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO3/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18).
What are the key properties of 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid?
6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid has a molecular weight of 318.13 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 686152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).