N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide

C18H14BrFN2O — CID 100642237

IUPACN-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3c(F)cccc3Br)cc2c1
InChIInChI=1S/C18H14BrFN2O/c1-10-6-7-16-12(8-10)9-13(11(2)21-16)18(23)22-17-14(19)4-3-5-15(17)20/h3-9H,1-2H3,(H,22,23)
InChIKeyDCIZDXOWGNUYMZ-UHFFFAOYSA-N
MW373.23 g/mol
LogP5.01
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide

N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide (PubChem CID 100642237) has the molecular formula C18H14BrFN2O and a molecular weight of 373.23 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
PubChem CID100642237
Molecular FormulaC18H14BrFN2O
Molecular Weight373.23 g/mol
Exact Mass372.03
IUPAC NameN-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3c(F)cccc3Br)cc2c1
InChIInChI=1S/C18H14BrFN2O/c1-10-6-7-16-12(8-10)9-13(11(2)21-16)18(23)22-17-14(19)4-3-5-15(17)20/h3-9H,1-2H3,(H,22,23)
InChIKeyDCIZDXOWGNUYMZ-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-tert-butyl-2,6-dimethylquinoline-3-carboxamide
CID 47130649
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55645214

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide (CID 100642237) is N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3c(F)cccc3Br)cc2c1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is DCIZDXOWGNUYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O/c1-10-6-7-16-12(8-10)9-13(11(2)21-16)18(23)22-17-14(19)4-3-5-15(17)20/h3-9H,1-2H3,(H,22,23).
What are the key properties of N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide?
N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 100642237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).