3-bromo-4-methyl-N-quinolin-8-ylbenzamide

C17H13BrN2O — CID 902789

IUPAC3-bromo-4-methyl-N-quinolin-8-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc3cccnc23)cc1Br
InChIInChI=1S/C17H13BrN2O/c1-11-7-8-13(10-14(11)18)17(21)20-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H,20,21)
InChIKeyKHIOBQJJUJKMJU-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.56
Rot. Bonds2

About 3-bromo-4-methyl-N-quinolin-8-ylbenzamide

3-bromo-4-methyl-N-quinolin-8-ylbenzamide (PubChem CID 902789) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-quinolin-8-ylbenzamide
PubChem CID902789
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name3-bromo-4-methyl-N-quinolin-8-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc3cccnc23)cc1Br
InChIInChI=1S/C17H13BrN2O/c1-11-7-8-13(10-14(11)18)17(21)20-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H,20,21)
InChIKeyKHIOBQJJUJKMJU-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-bromo-4-methyl-N-quinolin-8-ylbenzamide (CID 902789) is 3-bromo-4-methyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-bromo-4-methyl-N-quinolin-8-ylbenzamide is Cc1ccc(C(=O)Nc2cccc3cccnc23)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-quinolin-8-ylbenzamide?
The InChIKey is KHIOBQJJUJKMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-7-8-13(10-14(11)18)17(21)20-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H,20,21).
What are the key properties of 3-bromo-4-methyl-N-quinolin-8-ylbenzamide?
3-bromo-4-methyl-N-quinolin-8-ylbenzamide has a molecular weight of 341.21 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 902789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).