4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione

C22H23N5O5S — CID 11442758

IUPAC4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O
InChIInChI=1S/C22H23N5O5S/c1-12-18-19(22(29)27(21(18)28)20-13(2)24-25(4)14(20)3)16-11-15(5-6-17(16)23-12)33(30,31)26-7-9-32-10-8-26/h5-6,11H,7-10H2,1-4H3
InChIKeyFYZAYXXQYNGFKX-UHFFFAOYSA-N
MW469.52 g/mol
LogP1.72
Rot. Bonds3

About 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione

4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 11442758) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID11442758
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC Name4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O
InChIInChI=1S/C22H23N5O5S/c1-12-18-19(22(29)27(21(18)28)20-13(2)24-25(4)14(20)3)16-11-15(5-6-17(16)23-12)33(30,31)26-7-9-32-10-8-26/h5-6,11H,7-10H2,1-4H3
InChIKeyFYZAYXXQYNGFKX-UHFFFAOYSA-N
XLogP1.72
TPSA114.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione (CID 11442758) is 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O.
What is the InChIKey of 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is FYZAYXXQYNGFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c1-12-18-19(22(29)27(21(18)28)20-13(2)24-25(4)14(20)3)16-11-15(5-6-17(16)23-12)33(30,31)26-7-9-32-10-8-26/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione?
4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 469.52 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 11442758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).