4-(bromomethyl)-N-quinolin-5-ylbenzamide

C17H13BrN2O — CID 102850797

IUPAC4-(bromomethyl)-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(CBr)cc1
InChIInChI=1S/C17H13BrN2O/c18-11-12-6-8-13(9-7-12)17(21)20-16-5-1-4-15-14(16)3-2-10-19-15/h1-10H,11H2,(H,20,21)
InChIKeyHNEYTBXNCIVAND-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.38
Rot. Bonds3

About 4-(bromomethyl)-N-quinolin-5-ylbenzamide

4-(bromomethyl)-N-quinolin-5-ylbenzamide (PubChem CID 102850797) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-quinolin-5-ylbenzamide
PubChem CID102850797
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name4-(bromomethyl)-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(CBr)cc1
InChIInChI=1S/C17H13BrN2O/c18-11-12-6-8-13(9-7-12)17(21)20-16-5-1-4-15-14(16)3-2-10-19-15/h1-10H,11H2,(H,20,21)
InChIKeyHNEYTBXNCIVAND-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
4-(diethylamino)-N-quinolin-5-ylbenzamide
CID 112767915
4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
CID 42534314
4-methylsulfinyl-N-quinolin-5-ylbenzamide
CID 51182481
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
4-[[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]methyl]-N-quinolin-5-ylbenzamide
CID 126485549
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-(bromomethyl)-N-quinolin-5-ylbenzamide (CID 102850797) is 4-(bromomethyl)-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-(bromomethyl)-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-(bromomethyl)-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-quinolin-5-ylbenzamide?
The InChIKey is HNEYTBXNCIVAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-11-12-6-8-13(9-7-12)17(21)20-16-5-1-4-15-14(16)3-2-10-19-15/h1-10H,11H2,(H,20,21).
What are the key properties of 4-(bromomethyl)-N-quinolin-5-ylbenzamide?
4-(bromomethyl)-N-quinolin-5-ylbenzamide has a molecular weight of 341.21 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 102850797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).