N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide

C16H10BrFN2O — CID 115661425

IUPACN-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C16H10BrFN2O/c17-13-9-12(4-5-14(13)18)20-16(21)11-3-6-15-10(8-11)2-1-7-19-15/h1-9H,(H,20,21)
InChIKeyONEIAGPWRDLUBS-UHFFFAOYSA-N
MW345.17 g/mol
LogP4.39
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide

N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide (PubChem CID 115661425) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
PubChem CID115661425
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC NameN-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C16H10BrFN2O/c17-13-9-12(4-5-14(13)18)20-16(21)11-3-6-15-10(8-11)2-1-7-19-15/h1-9H,(H,20,21)
InChIKeyONEIAGPWRDLUBS-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
3-fluoro-4-methoxy-N-quinolin-6-ylbenzamide
CID 78878548
N-quinolin-6-ylbenzamide
CID 833617
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
CID 103706835
6-amino-N-quinolin-6-ylpyridine-3-carboxamide
CID 62642214
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide (CID 115661425) is N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide is O=C(Nc1ccc(F)c(Br)c1)c1ccc2ncccc2c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide?
The InChIKey is ONEIAGPWRDLUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-13-9-12(4-5-14(13)18)20-16(21)11-3-6-15-10(8-11)2-1-7-19-15/h1-9H,(H,20,21).
What are the key properties of N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide?
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide has a molecular weight of 345.17 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide is sourced from PubChem (CID 115661425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).