2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione

C19H14N2O5 — CID 1252200

IUPAC2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione
SMILESCOc1c(C2=CC(=O)N(C)C2=O)c2c(n1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H14N2O5/c1-20-12(22)8-11(18(20)25)13-14-15(21(2)19(13)26-3)17(24)10-7-5-4-6-9(10)16(14)23/h4-8H,1-3H3
InChIKeyRPWYCEBUPDNVLU-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.19
Rot. Bonds2

About 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione

2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione (PubChem CID 1252200) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione.

Molecular Properties

Compound Name2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione
PubChem CID1252200
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione
SMILESCOc1c(C2=CC(=O)N(C)C2=O)c2c(n1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H14N2O5/c1-20-12(22)8-11(18(20)25)13-14-15(21(2)19(13)26-3)17(24)10-7-5-4-6-9(10)16(14)23/h4-8H,1-3H3
InChIKeyRPWYCEBUPDNVLU-UHFFFAOYSA-N
XLogP1.19
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione?
The IUPAC name of 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione (CID 1252200) is 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione.
What is the SMILES notation for 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione?
The canonical SMILES for 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione is COc1c(C2=CC(=O)N(C)C2=O)c2c(n1C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione?
The InChIKey is RPWYCEBUPDNVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-20-12(22)8-11(18(20)25)13-14-15(21(2)19(13)26-3)17(24)10-7-5-4-6-9(10)16(14)23/h4-8H,1-3H3.
What are the key properties of 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione?
2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione has a molecular weight of 350.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-3-(1-methyl-2,5-dioxopyrrol-3-yl)benzo[f]indole-4,9-dione is sourced from PubChem (CID 1252200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).