4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione

C18H14N2O3 — CID 10924785

IUPAC4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione
SMILESCOc1cc2c(c3c1ccn3C)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C18H14N2O3/c1-19-9-8-12-14(23-2)10-13-15(16(12)19)18(22)20(17(13)21)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyACZCTKPOMPZAMP-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.99
Rot. Bonds2

About 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione

4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione (PubChem CID 10924785) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione.

Molecular Properties

Compound Name4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione
PubChem CID10924785
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione
SMILESCOc1cc2c(c3c1ccn3C)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C18H14N2O3/c1-19-9-8-12-14(23-2)10-13-15(16(12)19)18(22)20(17(13)21)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyACZCTKPOMPZAMP-UHFFFAOYSA-N
XLogP2.99
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione?
The IUPAC name of 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione (CID 10924785) is 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione.
What is the SMILES notation for 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione?
The canonical SMILES for 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione is COc1cc2c(c3c1ccn3C)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione?
The InChIKey is ACZCTKPOMPZAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-19-9-8-12-14(23-2)10-13-15(16(12)19)18(22)20(17(13)21)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione?
4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione has a molecular weight of 306.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-7-phenylpyrrolo[3,4-g]indole-6,8-dione is sourced from PubChem (CID 10924785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).