2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide

C14H17N3O4S — CID 137259295

IUPAC2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CN(C)S(C)(=O)=O)C=CC12
InChIInChI=1S/C14H17N3O4S/c1-9-6-13(18)16-12-7-10(4-5-11(9)12)15-14(19)8-17(2)22(3,20)21/h4-7,11H,8H2,1-3H3,(H,16,18)/b15-10+
InChIKeyIRDLMATUVQYGEO-XNTDXEJSSA-N
MW323.37 g/mol
LogP-0.01
Rot. Bonds3

About 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide

2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259295) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259295
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CN(C)S(C)(=O)=O)C=CC12
InChIInChI=1S/C14H17N3O4S/c1-9-6-13(18)16-12-7-10(4-5-11(9)12)15-14(19)8-17(2)22(3,20)21/h4-7,11H,8H2,1-3H3,(H,16,18)/b15-10+
InChIKeyIRDLMATUVQYGEO-XNTDXEJSSA-N
XLogP-0.01
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.01
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(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259295) is 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CC1=CC(=O)NC2=C/C(=N/C(=O)CN(C)S(C)(=O)=O)C=CC12.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is IRDLMATUVQYGEO-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9-6-13(18)16-12-7-10(4-5-11(9)12)15-14(19)8-17(2)22(3,20)21/h4-7,11H,8H2,1-3H3,(H,16,18)/b15-10+.
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 323.37 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).