6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

C25H19NO4 — CID 138585209

IUPAC6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cc2c(cc1OC)-c1c(c3ccccc3c(=O)n1Cc1ccccc1)C2=O
InChIInChI=1S/C25H19NO4/c1-29-20-12-18-19(13-21(20)30-2)24(27)22-16-10-6-7-11-17(16)25(28)26(23(18)22)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyYZGUWQXJARDFRI-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.28
Rot. Bonds4

About 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 138585209) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID138585209
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cc2c(cc1OC)-c1c(c3ccccc3c(=O)n1Cc1ccccc1)C2=O
InChIInChI=1S/C25H19NO4/c1-29-20-12-18-19(13-21(20)30-2)24(27)22-16-10-6-7-11-17(16)25(28)26(23(18)22)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyYZGUWQXJARDFRI-UHFFFAOYSA-N
XLogP4.28
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione (CID 138585209) is 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione is COc1cc2c(cc1OC)-c1c(c3ccccc3c(=O)n1Cc1ccccc1)C2=O.
What is the InChIKey of 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is YZGUWQXJARDFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-29-20-12-18-19(13-21(20)30-2)24(27)22-16-10-6-7-11-17(16)25(28)26(23(18)22)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3.
What are the key properties of 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 397.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8,9-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 138585209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).