4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

C17H13BrN2O2 — CID 137259204

IUPAC4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3ccc(Br)cc3)C=CC12
InChIInChI=1S/C17H13BrN2O2/c1-10-8-16(21)20-15-9-13(6-7-14(10)15)19-17(22)11-2-4-12(18)5-3-11/h2-9,14H,1H3,(H,20,21)/b19-13+
InChIKeyMYICVUBDXYRWEK-CPNJWEJPSA-N
MW357.21 g/mol
LogP3.18
Rot. Bonds1

About 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (PubChem CID 137259204) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
PubChem CID137259204
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3ccc(Br)cc3)C=CC12
InChIInChI=1S/C17H13BrN2O2/c1-10-8-16(21)20-15-9-13(6-7-14(10)15)19-17(22)11-2-4-12(18)5-3-11/h2-9,14H,1H3,(H,20,21)/b19-13+
InChIKeyMYICVUBDXYRWEK-CPNJWEJPSA-N
XLogP3.18
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The IUPAC name of 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (CID 137259204) is 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The canonical SMILES for 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is CC1=CC(=O)NC2=C/C(=N/C(=O)c3ccc(Br)cc3)C=CC12.
What is the InChIKey of 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The InChIKey is MYICVUBDXYRWEK-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-10-8-16(21)20-15-9-13(6-7-14(10)15)19-17(22)11-2-4-12(18)5-3-11/h2-9,14H,1H3,(H,20,21)/b19-13+.
What are the key properties of 4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
4-bromo-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide has a molecular weight of 357.21 g/mol, XLogP of 3.18, 1 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-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is sourced from PubChem (CID 137259204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).