2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

C17H12Cl2N2O2 — CID 137259209

IUPAC2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3cc(Cl)ccc3Cl)C=CC12
InChIInChI=1S/C17H12Cl2N2O2/c1-9-6-16(22)21-15-8-11(3-4-12(9)15)20-17(23)13-7-10(18)2-5-14(13)19/h2-8,12H,1H3,(H,21,22)/b20-11+
InChIKeyJNMCOXCCHGHNMA-RGVLZGJSSA-N
MW347.20 g/mol
LogP3.72
Rot. Bonds1

About 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (PubChem CID 137259209) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
PubChem CID137259209
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3cc(Cl)ccc3Cl)C=CC12
InChIInChI=1S/C17H12Cl2N2O2/c1-9-6-16(22)21-15-8-11(3-4-12(9)15)20-17(23)13-7-10(18)2-5-14(13)19/h2-8,12H,1H3,(H,21,22)/b20-11+
InChIKeyJNMCOXCCHGHNMA-RGVLZGJSSA-N
XLogP3.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.72
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 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The IUPAC name of 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (CID 137259209) is 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The canonical SMILES for 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is CC1=CC(=O)NC2=C/C(=N/C(=O)c3cc(Cl)ccc3Cl)C=CC12.
What is the InChIKey of 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The InChIKey is JNMCOXCCHGHNMA-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-9-6-16(22)21-15-8-11(3-4-12(9)15)20-17(23)13-7-10(18)2-5-14(13)19/h2-8,12H,1H3,(H,21,22)/b20-11+.
What are the key properties of 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide has a molecular weight of 347.20 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is sourced from PubChem (CID 137259209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).