N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide

C15H9BrClN3O — CID 116783827

IUPACN-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)c1ccc(Cl)nc1
InChIInChI=1S/C15H9BrClN3O/c16-11-6-9-2-1-3-12(14(9)19-8-11)20-15(21)10-4-5-13(17)18-7-10/h1-8H,(H,20,21)
InChIKeyFBDMGJPBMYYUIY-UHFFFAOYSA-N
MW362.61 g/mol
LogP4.30
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide

N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide (PubChem CID 116783827) has the molecular formula C15H9BrClN3O and a molecular weight of 362.61 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
PubChem CID116783827
Molecular FormulaC15H9BrClN3O
Molecular Weight362.61 g/mol
Exact Mass360.96
IUPAC NameN-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)c1ccc(Cl)nc1
InChIInChI=1S/C15H9BrClN3O/c16-11-6-9-2-1-3-12(14(9)19-8-11)20-15(21)10-4-5-13(17)18-7-10/h1-8H,(H,20,21)
InChIKeyFBDMGJPBMYYUIY-UHFFFAOYSA-N
XLogP4.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide
CID 116784653
methyl 3-[(3-bromoquinolin-8-yl)carbamoyl]benzoate
CID 19592861
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
N-(3-bromoquinolin-8-yl)-3-hydroxypyridine-2-carboxamide
CID 116784767
N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 116784693
3-amino-N-(3-bromoquinolin-8-yl)-1H-1,2,4-triazole-5-carboxamide
CID 116784345
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide (CID 116783827) is N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide is O=C(Nc1cccc2cc(Br)cnc12)c1ccc(Cl)nc1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide?
The InChIKey is FBDMGJPBMYYUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O/c16-11-6-9-2-1-3-12(14(9)19-8-11)20-15(21)10-4-5-13(17)18-7-10/h1-8H,(H,20,21).
What are the key properties of N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide?
N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide has a molecular weight of 362.61 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 116783827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).