potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate

C14H6Br2KNO2S — CID 23711748

IUPACpotassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(Br)s2)nc2ccc(Br)cc12.[K+]
InChIInChI=1S/C14H7Br2NO2S.K/c15-7-1-2-10-8(5-7)9(14(18)19)6-11(17-10)12-3-4-13(16)20-12;/h1-6H,(H,18,19);/q;+1/p-1
InChIKeyZNDZJOBKCAVIRH-UHFFFAOYSA-M
MW451.18 g/mol
LogP0.86
Rot. Bonds2

About potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate

potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate (PubChem CID 23711748) has the molecular formula C14H6Br2KNO2S and a molecular weight of 451.18 g/mol. Its IUPAC name is potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namepotassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate
PubChem CID23711748
Molecular FormulaC14H6Br2KNO2S
Molecular Weight451.18 g/mol
Exact Mass448.81
IUPAC Namepotassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(Br)s2)nc2ccc(Br)cc12.[K+]
InChIInChI=1S/C14H7Br2NO2S.K/c15-7-1-2-10-8(5-7)9(14(18)19)6-11(17-10)12-3-4-13(16)20-12;/h1-6H,(H,18,19);/q;+1/p-1
InChIKeyZNDZJOBKCAVIRH-UHFFFAOYSA-M
XLogP0.86
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.18
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23688649
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23686843
6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 4747845
6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate
CID 6959218
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
CID 4512118
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
2-(1,3-benzodioxol-5-yl)-6-bromoquinoline-4-carboxylate
CID 4543838
6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylate
CID 1223590
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225

Frequently Asked Questions

What is the IUPAC name of potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate?
The IUPAC name of potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate (CID 23711748) is potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate?
The canonical SMILES for potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate is O=C([O-])c1cc(-c2ccc(Br)s2)nc2ccc(Br)cc12.[K+].
What is the InChIKey of potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate?
The InChIKey is ZNDZJOBKCAVIRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H7Br2NO2S.K/c15-7-1-2-10-8(5-7)9(14(18)19)6-11(17-10)12-3-4-13(16)20-12;/h1-6H,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate?
potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate has a molecular weight of 451.18 g/mol, XLogP of 0.86, 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-(5-bromothiophen-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 23711748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).