2-amino-3-bromo-N-quinolin-8-ylbenzamide

C16H12BrN3O — CID 110451344

IUPAC2-amino-3-bromo-N-quinolin-8-ylbenzamide
SMILESNc1c(Br)cccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H12BrN3O/c17-12-7-2-6-11(14(12)18)16(21)20-13-8-1-4-10-5-3-9-19-15(10)13/h1-9H,18H2,(H,20,21)
InChIKeyJMCZKROYPBGLCT-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.83
Rot. Bonds2

About 2-amino-3-bromo-N-quinolin-8-ylbenzamide

2-amino-3-bromo-N-quinolin-8-ylbenzamide (PubChem CID 110451344) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-amino-3-bromo-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-bromo-N-quinolin-8-ylbenzamide
PubChem CID110451344
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name2-amino-3-bromo-N-quinolin-8-ylbenzamide
SMILESNc1c(Br)cccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H12BrN3O/c17-12-7-2-6-11(14(12)18)16(21)20-13-8-1-4-10-5-3-9-19-15(10)13/h1-9H,18H2,(H,20,21)
InChIKeyJMCZKROYPBGLCT-UHFFFAOYSA-N
XLogP3.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
2-bromo-6-hydroxy-N-quinolin-8-ylbenzamide
CID 174610823
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402
2-amino-3-fluoro-N-quinolin-8-ylpyridine-4-carboxamide
CID 105384038
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
N-(2-bromophenyl)-8-hydroxyquinoline-7-carboxamide;methane
CID 161317877
4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
N-quinolin-8-yl-9H-carbazole-1-carboxamide
CID 66606498
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-amino-3-bromo-N-quinolin-8-ylbenzamide (CID 110451344) is 2-amino-3-bromo-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-amino-3-bromo-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-amino-3-bromo-N-quinolin-8-ylbenzamide is Nc1c(Br)cccc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-amino-3-bromo-N-quinolin-8-ylbenzamide?
The InChIKey is JMCZKROYPBGLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-12-7-2-6-11(14(12)18)16(21)20-13-8-1-4-10-5-3-9-19-15(10)13/h1-9H,18H2,(H,20,21).
What are the key properties of 2-amino-3-bromo-N-quinolin-8-ylbenzamide?
2-amino-3-bromo-N-quinolin-8-ylbenzamide has a molecular weight of 342.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 110451344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).