3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione

C18H13NO2 — CID 71600953

IUPAC3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione
SMILESCc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O
InChIInChI=1S/C18H13NO2/c1-10-7-8-11-14(9-10)18(21)19(2)16-12-5-3-4-6-13(12)17(20)15(11)16/h3-9H,1-2H3
InChIKeyGCKGMJTXKYWKBR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.06
Rot. Bonds

About 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione

3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 71600953) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID71600953
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione
SMILESCc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O
InChIInChI=1S/C18H13NO2/c1-10-7-8-11-14(9-10)18(21)19(2)16-12-5-3-4-6-13(12)17(20)15(11)16/h3-9H,1-2H3
InChIKeyGCKGMJTXKYWKBR-UHFFFAOYSA-N
XLogP3.06
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione (CID 71600953) is 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione is Cc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O.
What is the InChIKey of 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is GCKGMJTXKYWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-10-7-8-11-14(9-10)18(21)19(2)16-12-5-3-4-6-13(12)17(20)15(11)16/h3-9H,1-2H3.
What are the key properties of 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione?
3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 275.31 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 71600953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).