4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione

C23H21N3O5S — CID 11576032

IUPAC4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1ccccc1N1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O
InChIInChI=1S/C23H21N3O5S/c1-14-5-3-4-6-19(14)26-22(27)20-15(2)24-18-8-7-16(13-17(18)21(20)23(26)28)32(29,30)25-9-11-31-12-10-25/h3-8,13H,9-12H2,1-2H3
InChIKeySFKADFFMDQELSQ-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.67
Rot. Bonds3

About 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione

4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 11576032) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID11576032
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1ccccc1N1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O
InChIInChI=1S/C23H21N3O5S/c1-14-5-3-4-6-19(14)26-22(27)20-15(2)24-18-8-7-16(13-17(18)21(20)23(26)28)32(29,30)25-9-11-31-12-10-25/h3-8,13H,9-12H2,1-2H3
InChIKeySFKADFFMDQELSQ-UHFFFAOYSA-N
XLogP2.67
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione (CID 11576032) is 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1ccccc1N1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is SFKADFFMDQELSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-14-5-3-4-6-19(14)26-22(27)20-15(2)24-18-8-7-16(13-17(18)21(20)23(26)28)32(29,30)25-9-11-31-12-10-25/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 451.50 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 11576032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).