2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione

C17H17N3O5S — CID 11639401

IUPAC2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(C)C2=O
InChIInChI=1S/C17H17N3O5S/c1-10-14-15(17(22)19(2)16(14)21)12-9-11(3-4-13(12)18-10)26(23,24)20-5-7-25-8-6-20/h3-4,9H,5-8H2,1-2H3
InChIKeySNJXXDYJWZLOAX-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.79
Rot. Bonds2

About 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione

2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 11639401) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID11639401
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(C)C2=O
InChIInChI=1S/C17H17N3O5S/c1-10-14-15(17(22)19(2)16(14)21)12-9-11(3-4-13(12)18-10)26(23,24)20-5-7-25-8-6-20/h3-4,9H,5-8H2,1-2H3
InChIKeySNJXXDYJWZLOAX-UHFFFAOYSA-N
XLogP0.79
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[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

Related Compounds

Ivachtin
CID 11201705
7-Methyl-12-(morpholine-4-sulfonyl)-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaene-3,5-dione
CID 11581298
Methyl 2-[7-methyl-12-(morpholine-4-sulfonyl)-3,5-dioxo-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl]acetate
CID 11597226
Methyl 3-[7-methyl-12-(morpholine-4-sulfonyl)-3,5-dioxo-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl]propanoate
CID 11619252
Pyrrolo[3,4-c]-quinoline-1,3-dione 21a
CID 11179699
2-{7-[4-(Dimethylcarbamoyl)phenyl]-12-(morpholine-4-sulfonyl)-3,5-dioxo-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl}ethyl acetate
CID 11250168
2-[7-Chloro-12-(morpholine-4-sulfonyl)-3,5-dioxo-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl]ethyl acetate
CID 11282766
2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl]ethyl acetate
CID 11307958
Pyrrolo[3,4-c]-quinoline-1,3-dione 23
CID 11330337
Pyrrolo[3,4-c]-quinoline-1,3-dione 24
CID 11353611
2-[12-(Morpholine-4-sulfonyl)-3,5-dioxo-7-phenyl-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl]ethyl acetate
CID 11398098
2-[12-(Morpholine-4-sulfonyl)-3,5-dioxo-7-(pyridin-3-yl)-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaen-4-yl]ethyl acetate
CID 11409626

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione (CID 11639401) is 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(C)C2=O.
What is the InChIKey of 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is SNJXXDYJWZLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-10-14-15(17(22)19(2)16(14)21)12-9-11(3-4-13(12)18-10)26(23,24)20-5-7-25-8-6-20/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 375.41 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 11639401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).