4-bromo-N-quinolin-3-ylbenzamide

C16H11BrN2O — CID 3301629

IUPAC4-bromo-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O/c17-13-7-5-11(6-8-13)16(20)19-14-9-12-3-1-2-4-15(12)18-10-14/h1-10H,(H,19,20)
InChIKeyOMOMWOSKBCLEKV-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.25
Rot. Bonds2

About 4-bromo-N-quinolin-3-ylbenzamide

4-bromo-N-quinolin-3-ylbenzamide (PubChem CID 3301629) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-quinolin-3-ylbenzamide
PubChem CID3301629
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name4-bromo-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O/c17-13-7-5-11(6-8-13)16(20)19-14-9-12-3-1-2-4-15(12)18-10-14/h1-10H,(H,19,20)
InChIKeyOMOMWOSKBCLEKV-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-quinolin-3-ylbenzamide
CID 974969
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
3-(4-bromobenzoyl)-N-quinolin-3-ylindolizine-1-carboxamide
CID 168677971
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide
CID 91641553
4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815608

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-bromo-N-quinolin-3-ylbenzamide (CID 3301629) is 4-bromo-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-bromo-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-bromo-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-quinolin-3-ylbenzamide?
The InChIKey is OMOMWOSKBCLEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-13-7-5-11(6-8-13)16(20)19-14-9-12-3-1-2-4-15(12)18-10-14/h1-10H,(H,19,20).
What are the key properties of 4-bromo-N-quinolin-3-ylbenzamide?
4-bromo-N-quinolin-3-ylbenzamide has a molecular weight of 327.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 3301629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).