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

C20H23N3O6S — CID 11495745

IUPAC4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(OC(C)(C)C)C2=O
InChIInChI=1S/C20H23N3O6S/c1-12-16-17(19(25)23(18(16)24)29-20(2,3)4)14-11-13(5-6-15(14)21-12)30(26,27)22-7-9-28-10-8-22/h5-6,11H,7-10H2,1-4H3
InChIKeyZYPJCHQLWMULKA-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.89
Rot. Bonds3

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

4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 11495745) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID11495745
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Name4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(OC(C)(C)C)C2=O
InChIInChI=1S/C20H23N3O6S/c1-12-16-17(19(25)23(18(16)24)29-20(2,3)4)14-11-13(5-6-15(14)21-12)30(26,27)22-7-9-28-10-8-22/h5-6,11H,7-10H2,1-4H3
InChIKeyZYPJCHQLWMULKA-UHFFFAOYSA-N
XLogP1.89
TPSA106.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1-acetyl-3,5-dimethylpyrazol-4-yl)-4-methyl-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione
CID 11684705
2-methyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4008920
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;molecular hydrogen
CID 142983845
(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid
CID 142772199
ethyl 2-[5-[4-methyl-8-(4-methylpiperidin-1-yl)sulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]-1,3,4-thiadiazol-2-yl]acetate
CID 70342624
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
CID 11682116
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367204
4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylmorpholine
CID 1097196
2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
CID 55466253

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione (CID 11495745) is 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)N(OC(C)(C)C)C2=O.
What is the InChIKey of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is ZYPJCHQLWMULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-12-16-17(19(25)23(18(16)24)29-20(2,3)4)14-11-13(5-6-15(14)21-12)30(26,27)22-7-9-28-10-8-22/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione?
4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 433.49 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-8-morpholin-4-ylsulfonylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 11495745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).