4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide

C21H17BrN2O2 — CID 102245752

IUPAC4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide
SMILESCN1C(=O)C(NC(=O)c2ccc(Br)cc2)Cc2c1ccc1ccccc21
InChIInChI=1S/C21H17BrN2O2/c1-24-19-11-8-13-4-2-3-5-16(13)17(19)12-18(21(24)26)23-20(25)14-6-9-15(22)10-7-14/h2-11,18H,12H2,1H3,(H,23,25)
InChIKeyNMORABVAHMYNCQ-UHFFFAOYSA-N
MW409.28 g/mol
LogP3.92
Rot. Bonds2

About 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide

4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide (PubChem CID 102245752) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide
PubChem CID102245752
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide
SMILESCN1C(=O)C(NC(=O)c2ccc(Br)cc2)Cc2c1ccc1ccccc21
InChIInChI=1S/C21H17BrN2O2/c1-24-19-11-8-13-4-2-3-5-16(13)17(19)12-18(21(24)26)23-20(25)14-6-9-15(22)10-7-14/h2-11,18H,12H2,1H3,(H,23,25)
InChIKeyNMORABVAHMYNCQ-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide (CID 102245752) is 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide is CN1C(=O)C(NC(=O)c2ccc(Br)cc2)Cc2c1ccc1ccccc21.
What is the InChIKey of 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide?
The InChIKey is NMORABVAHMYNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c1-24-19-11-8-13-4-2-3-5-16(13)17(19)12-18(21(24)26)23-20(25)14-6-9-15(22)10-7-14/h2-11,18H,12H2,1H3,(H,23,25).
What are the key properties of 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide?
4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide has a molecular weight of 409.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methyl-3-oxo-1,2-dihydrobenzo[f]quinolin-2-yl)benzamide is sourced from PubChem (CID 102245752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).