6-bromo-2-phenylquinoline-4-carboxylate

C16H9BrNO2- — CID 6974957

IUPAC6-bromo-2-phenylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)/p-1
InChIKeyPPBAFFAAGXPVNW-UHFFFAOYSA-M
MW327.16 g/mol
LogP3.03
Rot. Bonds2

About 6-bromo-2-phenylquinoline-4-carboxylate

6-bromo-2-phenylquinoline-4-carboxylate (PubChem CID 6974957) has the molecular formula C16H9BrNO2- and a molecular weight of 327.16 g/mol. Its IUPAC name is 6-bromo-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name6-bromo-2-phenylquinoline-4-carboxylate
PubChem CID6974957
Molecular FormulaC16H9BrNO2-
Molecular Weight327.16 g/mol
Exact Mass325.98
IUPAC Name6-bromo-2-phenylquinoline-4-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)/p-1
InChIKeyPPBAFFAAGXPVNW-UHFFFAOYSA-M
XLogP3.03
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate
CID 6959218
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
2-(4-bromophenyl)-6-fluoroquinoline-4-carboxylate
CID 4512118
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
potassium 6-bromo-2-(5-bromothiophen-2-yl)quinoline-4-carboxylate
CID 23711748
2-(1,3-benzodioxol-5-yl)-6-bromoquinoline-4-carboxylate
CID 4543838
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704
6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 4747845
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenylquinoline-4-carboxylate?
The IUPAC name of 6-bromo-2-phenylquinoline-4-carboxylate (CID 6974957) is 6-bromo-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for 6-bromo-2-phenylquinoline-4-carboxylate?
The canonical SMILES for 6-bromo-2-phenylquinoline-4-carboxylate is O=C([O-])c1cc(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-phenylquinoline-4-carboxylate?
The InChIKey is PPBAFFAAGXPVNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)/p-1.
What are the key properties of 6-bromo-2-phenylquinoline-4-carboxylate?
6-bromo-2-phenylquinoline-4-carboxylate has a molecular weight of 327.16 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 6974957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).