6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione

C23H22N4O6 — CID 10599655

IUPAC6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cc2c(cc1OC)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCCN=[N+]=[N-])C2=O
InChIInChI=1S/C23H22N4O6/c1-30-16-8-12-15(11-19(16)33-4)23(29)27(7-5-6-25-26-24)21-13-9-17(31-2)18(32-3)10-14(13)22(28)20(12)21/h8-11H,5-7H2,1-4H3
InChIKeyUHRSAHQXCWIMLP-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.95
Rot. Bonds8

About 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione

6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 10599655) has the molecular formula C23H22N4O6 and a molecular weight of 450.45 g/mol. Its IUPAC name is 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID10599655
Molecular FormulaC23H22N4O6
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cc2c(cc1OC)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCCN=[N+]=[N-])C2=O
InChIInChI=1S/C23H22N4O6/c1-30-16-8-12-15(11-19(16)33-4)23(29)27(7-5-6-25-26-24)21-13-9-17(31-2)18(32-3)10-14(13)22(28)20(12)21/h8-11H,5-7H2,1-4H3
InChIKeyUHRSAHQXCWIMLP-UHFFFAOYSA-N
XLogP3.95
TPSA124.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione (CID 10599655) is 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione is COc1cc2c(cc1OC)-c1c(c3cc(OC)c(OC)cc3c(=O)n1CCCN=[N+]=[N-])C2=O.
What is the InChIKey of 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is UHRSAHQXCWIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6/c1-30-16-8-12-15(11-19(16)33-4)23(29)27(7-5-6-25-26-24)21-13-9-17(31-2)18(32-3)10-14(13)22(28)20(12)21/h8-11H,5-7H2,1-4H3.
What are the key properties of 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione?
6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 450.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 10599655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).