potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate

C15H9BrKNO2S — CID 23688649

IUPACpotassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
SMILESCc1ccc2nc(-c3ccc(Br)s3)cc(C(=O)[O-])c2c1.[K+]
InChIInChI=1S/C15H10BrNO2S.K/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1
InChIKeyKMHAPICMMGELPV-UHFFFAOYSA-M
MW386.31 g/mol
LogP0.40
Rot. Bonds2

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

potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate (PubChem CID 23688649) has the molecular formula C15H9BrKNO2S and a molecular weight of 386.31 g/mol. Its IUPAC name is potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namepotassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
PubChem CID23688649
Molecular FormulaC15H9BrKNO2S
Molecular Weight386.31 g/mol
Exact Mass384.92
IUPAC Namepotassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate
SMILESCc1ccc2nc(-c3ccc(Br)s3)cc(C(=O)[O-])c2c1.[K+]
InChIInChI=1S/C15H10BrNO2S.K/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1
InChIKeyKMHAPICMMGELPV-UHFFFAOYSA-M
XLogP0.40
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate
CID 23711748
potassium 2-(5-chlorothiophen-2-yl)-6-methylquinoline-4-carboxylate
CID 23686843
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 4747845
2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 4093975
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
CID 113486957
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
2-(5-bromothiophen-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 63462150
2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid
CID 63751054
2-[5-(2-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 2147629

Frequently Asked Questions

What is the IUPAC name of potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate?
The IUPAC name of potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate (CID 23688649) is potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate.
What is the SMILES notation for potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate?
The canonical SMILES for potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate is Cc1ccc2nc(-c3ccc(Br)s3)cc(C(=O)[O-])c2c1.[K+].
What is the InChIKey of potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate?
The InChIKey is KMHAPICMMGELPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10BrNO2S.K/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13;/h2-7H,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate?
potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate has a molecular weight of 386.31 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(5-bromothiophen-2-yl)-6-methylquinoline-4-carboxylate is sourced from PubChem (CID 23688649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).