2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone

C18H11NO4 — CID 139261223

IUPAC2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
SMILESCc1ccc2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c(=O)c2c1
InChIInChI=1S/C18H11NO4/c1-8-3-4-9-10(5-8)16(21)12-7-14-13(6-11(12)15(9)20)17(22)19(2)18(14)23/h3-7H,1-2H3
InChIKeyFMNOJXWYYQUPFW-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.11
Rot. Bonds

About 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone

2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone (PubChem CID 139261223) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone.

Molecular Properties

Compound Name2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
PubChem CID139261223
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
SMILESCc1ccc2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c(=O)c2c1
InChIInChI=1S/C18H11NO4/c1-8-3-4-9-10(5-8)16(21)12-7-14-13(6-11(12)15(9)20)17(22)19(2)18(14)23/h3-7H,1-2H3
InChIKeyFMNOJXWYYQUPFW-UHFFFAOYSA-N
XLogP1.11
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The IUPAC name of 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone (CID 139261223) is 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone.
What is the SMILES notation for 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The canonical SMILES for 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone is Cc1ccc2c(=O)c3cc4c(=O)n(C)c(=O)c4cc3c(=O)c2c1.
What is the InChIKey of 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The InChIKey is FMNOJXWYYQUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c1-8-3-4-9-10(5-8)16(21)12-7-14-13(6-11(12)15(9)20)17(22)19(2)18(14)23/h3-7H,1-2H3.
What are the key properties of 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone?
2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone has a molecular weight of 305.29 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone is sourced from PubChem (CID 139261223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).