2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide

C16H19N3O4S — CID 137260415

IUPAC2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
SMILESCN(CC(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O4S/c1-19(24(2,22)23)9-15(20)17-10-6-7-12-11-4-3-5-13(11)16(21)18-14(12)8-10/h6-8,12H,3-5,9H2,1-2H3,(H,18,21)/b17-10+
InChIKeyXLZWGFIENYTJNG-LICLKQGHSA-N
MW349.41 g/mol
LogP0.53
Rot. Bonds3

About 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide

2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide (PubChem CID 137260415) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
PubChem CID137260415
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
SMILESCN(CC(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O4S/c1-19(24(2,22)23)9-15(20)17-10-6-7-12-11-4-3-5-13(11)16(21)18-14(12)8-10/h6-8,12H,3-5,9H2,1-2H3,(H,18,21)/b17-10+
InChIKeyXLZWGFIENYTJNG-LICLKQGHSA-N
XLogP0.53
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.53
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-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide (CID 137260415) is 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide is CN(CC(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCC1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
The InChIKey is XLZWGFIENYTJNG-LICLKQGHSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-19(24(2,22)23)9-15(20)17-10-6-7-12-11-4-3-5-13(11)16(21)18-14(12)8-10/h6-8,12H,3-5,9H2,1-2H3,(H,18,21)/b17-10+.
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide has a molecular weight of 349.41 g/mol, XLogP of 0.53, 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-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide is sourced from PubChem (CID 137260415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).