6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione

C14H12N2O5 — CID 15364945

IUPAC6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione
SMILESCOc1cc2[nH]c3c(c(=O)c2cc1OC)C(=O)N(C)C3=O
InChIInChI=1S/C14H12N2O5/c1-16-13(18)10-11(14(16)19)15-7-5-9(21-3)8(20-2)4-6(7)12(10)17/h4-5H,1-3H3,(H,15,17)
InChIKeyGFBXYFWBBYEPIT-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.77
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione

6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione (PubChem CID 15364945) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione
PubChem CID15364945
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione
SMILESCOc1cc2[nH]c3c(c(=O)c2cc1OC)C(=O)N(C)C3=O
InChIInChI=1S/C14H12N2O5/c1-16-13(18)10-11(14(16)19)15-7-5-9(21-3)8(20-2)4-6(7)12(10)17/h4-5H,1-3H3,(H,15,17)
InChIKeyGFBXYFWBBYEPIT-UHFFFAOYSA-N
XLogP0.77
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione?
The IUPAC name of 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione (CID 15364945) is 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione?
The canonical SMILES for 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione is COc1cc2[nH]c3c(c(=O)c2cc1OC)C(=O)N(C)C3=O.
What is the InChIKey of 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione?
The InChIKey is GFBXYFWBBYEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-16-13(18)10-11(14(16)19)15-7-5-9(21-3)8(20-2)4-6(7)12(10)17/h4-5H,1-3H3,(H,15,17).
What are the key properties of 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione?
6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione has a molecular weight of 288.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione is sourced from PubChem (CID 15364945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).