2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate

C16H8BrFNO2- — CID 4512118

IUPAC2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccc(F)cc12
InChIInChI=1S/C16H9BrFNO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)/p-1
InChIKeyCWOODRZOYJHYMP-UHFFFAOYSA-M
MW345.15 g/mol
LogP3.17
Rot. Bonds2

About 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate

2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate (PubChem CID 4512118) has the molecular formula C16H8BrFNO2- and a molecular weight of 345.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
PubChem CID4512118
Molecular FormulaC16H8BrFNO2-
Molecular Weight345.15 g/mol
Exact Mass343.97
IUPAC Name2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccc(F)cc12
InChIInChI=1S/C16H9BrFNO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)/p-1
InChIKeyCWOODRZOYJHYMP-UHFFFAOYSA-M
XLogP3.17
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate
CID 6959218
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-(1,3-benzodioxol-5-yl)-6-bromoquinoline-4-carboxylate
CID 4543838
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate
CID 23711748
6-fluoro-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate
CID 7172625
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
sodium 2-phenylquinoline-4-carboxylate
CID 23691042

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate?
The IUPAC name of 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate (CID 4512118) is 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate.
What is the SMILES notation for 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate?
The canonical SMILES for 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate is O=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccc(F)cc12.
What is the InChIKey of 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate?
The InChIKey is CWOODRZOYJHYMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H9BrFNO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)/p-1.
What are the key properties of 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate?
2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate has a molecular weight of 345.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate is sourced from PubChem (CID 4512118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).