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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Related Compounds

2,4-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
CID 137259208
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,5-dichlorobenzamide
CID 137259756
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide
CID 167999843
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide
CID 137259731
4-chloro-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259978
2-(4-chlorophenoxy)-2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide
CID 137260537
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
(4-aminooxan-4-yl)-(2,5-dichlorophenyl)methanone
CID 116604624
2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047770
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
2,5-dichloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983980
2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259395

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).