4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione

C16H15N3O5S — CID 11581298

IUPAC4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)NC2=O
InChIInChI=1S/C16H15N3O5S/c1-9-13-14(16(21)18-15(13)20)11-8-10(2-3-12(11)17-9)25(22,23)19-4-6-24-7-5-19/h2-3,8H,4-7H2,1H3,(H,18,20,21)
InChIKeyBWFATQRDRVJBNH-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.45
Rot. Bonds2

About 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione

4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 11581298) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID11581298
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)NC2=O
InChIInChI=1S/C16H15N3O5S/c1-9-13-14(16(21)18-15(13)20)11-8-10(2-3-12(11)17-9)25(22,23)19-4-6-24-7-5-19/h2-3,8H,4-7H2,1H3,(H,18,20,21)
InChIKeyBWFATQRDRVJBNH-UHFFFAOYSA-N
XLogP0.45
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
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-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione (CID 11581298) is 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)NC2=O.
What is the InChIKey of 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is BWFATQRDRVJBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-9-13-14(16(21)18-15(13)20)11-8-10(2-3-12(11)17-9)25(22,23)19-4-6-24-7-5-19/h2-3,8H,4-7H2,1H3,(H,18,20,21).
What are the key properties of 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 361.38 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 11581298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).