3,5-dibromo-N-quinolin-6-ylbenzamide

C16H10Br2N2O — CID 107980427

IUPAC3,5-dibromo-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H10Br2N2O/c17-12-6-11(7-13(18)9-12)16(21)20-14-3-4-15-10(8-14)2-1-5-19-15/h1-9H,(H,20,21)
InChIKeyWWUQFBKUSIHKDP-UHFFFAOYSA-N
MW406.08 g/mol
LogP5.01
Rot. Bonds2

About 3,5-dibromo-N-quinolin-6-ylbenzamide

3,5-dibromo-N-quinolin-6-ylbenzamide (PubChem CID 107980427) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is 3,5-dibromo-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-quinolin-6-ylbenzamide
PubChem CID107980427
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name3,5-dibromo-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H10Br2N2O/c17-12-6-11(7-13(18)9-12)16(21)20-14-3-4-15-10(8-14)2-1-5-19-15/h1-9H,(H,20,21)
InChIKeyWWUQFBKUSIHKDP-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.08
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dibromo-N-quinolin-6-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-quinolin-6-ylbenzamide
CID 833617
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425
N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299
5-bromo-2-iodo-N-quinolin-6-ylbenzamide
CID 55784458
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
6-amino-N-quinolin-6-ylpyridine-3-carboxamide
CID 62642214
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761
2-hydrazinyl-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640418
3-bromo-N-quinolin-6-ylthiophene-2-carboxamide
CID 60783620
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-quinolin-6-ylbenzamide?
The IUPAC name of 3,5-dibromo-N-quinolin-6-ylbenzamide (CID 107980427) is 3,5-dibromo-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-quinolin-6-ylbenzamide?
The canonical SMILES for 3,5-dibromo-N-quinolin-6-ylbenzamide is O=C(Nc1ccc2ncccc2c1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-quinolin-6-ylbenzamide?
The InChIKey is WWUQFBKUSIHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-12-6-11(7-13(18)9-12)16(21)20-14-3-4-15-10(8-14)2-1-5-19-15/h1-9H,(H,20,21).
What are the key properties of 3,5-dibromo-N-quinolin-6-ylbenzamide?
3,5-dibromo-N-quinolin-6-ylbenzamide has a molecular weight of 406.08 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 3,5-dibromo-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 107980427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).