2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H18N2O4 — CID 137259264

IUPAC2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3Oc4ccccc4OC3C)C=CC12
InChIInChI=1S/C20H18N2O4/c1-11-9-18(23)22-15-10-13(7-8-14(11)15)21-20(24)19-12(2)25-16-5-3-4-6-17(16)26-19/h3-10,12,14,19H,1-2H3,(H,22,23)/b21-13+
InChIKeyURZRYLOJRJPABG-FYJGNVAPSA-N
MW350.37 g/mol
LogP2.33
Rot. Bonds1

About 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 137259264) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID137259264
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C3Oc4ccccc4OC3C)C=CC12
InChIInChI=1S/C20H18N2O4/c1-11-9-18(23)22-15-10-13(7-8-14(11)15)21-20(24)19-12(2)25-16-5-3-4-6-17(16)26-19/h3-10,12,14,19H,1-2H3,(H,22,23)/b21-13+
InChIKeyURZRYLOJRJPABG-FYJGNVAPSA-N
XLogP2.33
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 137259264) is 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C3Oc4ccccc4OC3C)C=CC12.
What is the InChIKey of 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is URZRYLOJRJPABG-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-11-9-18(23)22-15-10-13(7-8-14(11)15)21-20(24)19-12(2)25-16-5-3-4-6-17(16)26-19/h3-10,12,14,19H,1-2H3,(H,22,23)/b21-13+.
What are the key properties of 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 137259264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).