4-bromo-N-(3-bromoquinolin-8-yl)benzamide

C16H10Br2N2O — CID 116784626

IUPAC4-bromo-N-(3-bromoquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)c1ccc(Br)cc1
InChIInChI=1S/C16H10Br2N2O/c17-12-6-4-10(5-7-12)16(21)20-14-3-1-2-11-8-13(18)9-19-15(11)14/h1-9H,(H,20,21)
InChIKeyWJIYONFXRYFTLS-UHFFFAOYSA-N
MW406.08 g/mol
LogP5.01
Rot. Bonds2

About 4-bromo-N-(3-bromoquinolin-8-yl)benzamide

4-bromo-N-(3-bromoquinolin-8-yl)benzamide (PubChem CID 116784626) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is 4-bromo-N-(3-bromoquinolin-8-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromoquinolin-8-yl)benzamide
PubChem CID116784626
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name4-bromo-N-(3-bromoquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)c1ccc(Br)cc1
InChIInChI=1S/C16H10Br2N2O/c17-12-6-4-10(5-7-12)16(21)20-14-3-1-2-11-8-13(18)9-19-15(11)14/h1-9H,(H,20,21)
InChIKeyWJIYONFXRYFTLS-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

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Related Compounds

N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
CID 116783827
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)-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
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromoquinolin-8-yl)benzamide?
The IUPAC name of 4-bromo-N-(3-bromoquinolin-8-yl)benzamide (CID 116784626) is 4-bromo-N-(3-bromoquinolin-8-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-bromoquinolin-8-yl)benzamide?
The canonical SMILES for 4-bromo-N-(3-bromoquinolin-8-yl)benzamide is O=C(Nc1cccc2cc(Br)cnc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-bromoquinolin-8-yl)benzamide?
The InChIKey is WJIYONFXRYFTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-12-6-4-10(5-7-12)16(21)20-14-3-1-2-11-8-13(18)9-19-15(11)14/h1-9H,(H,20,21).
What are the key properties of 4-bromo-N-(3-bromoquinolin-8-yl)benzamide?
4-bromo-N-(3-bromoquinolin-8-yl)benzamide 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 4-bromo-N-(3-bromoquinolin-8-yl)benzamide is sourced from PubChem (CID 116784626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).