potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate

C14H7BrKNO3 — CID 23672178

IUPACpotassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccco2)nc2ccc(Br)cc12.[K+]
InChIInChI=1S/C14H8BrNO3.K/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);/q;+1/p-1
InChIKeyDSGDSKDVNUSXFZ-UHFFFAOYSA-M
MW356.22 g/mol
LogP-0.38
Rot. Bonds2

About potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate

potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 23672178) has the molecular formula C14H7BrKNO3 and a molecular weight of 356.22 g/mol. Its IUPAC name is potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namepotassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID23672178
Molecular FormulaC14H7BrKNO3
Molecular Weight356.22 g/mol
Exact Mass354.92
IUPAC Namepotassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccco2)nc2ccc(Br)cc12.[K+]
InChIInChI=1S/C14H8BrNO3.K/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);/q;+1/p-1
InChIKeyDSGDSKDVNUSXFZ-UHFFFAOYSA-M
XLogP-0.38
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Furan-2-yl)quinoline-4-carboxylic acid
CID 697640
6-Bromo-2-(2-furanyl)-4-quinolinecarboxylic acid
CID 686152
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-(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 potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate (CID 23672178) is potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate is O=C([O-])c1cc(-c2ccco2)nc2ccc(Br)cc12.[K+].
What is the InChIKey of potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is DSGDSKDVNUSXFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8BrNO3.K/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);/q;+1/p-1.
What are the key properties of potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate?
potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 356.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 23672178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).