8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C18H15NO — CID 58593003

IUPAC8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESCc1cc2c(cc1C)-c1[nH]c(=O)c3ccccc3c1C2
InChIInChI=1S/C18H15NO/c1-10-7-12-9-16-13-5-3-4-6-14(13)18(20)19-17(16)15(12)8-11(10)2/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyIKHZZOKGOYXQSP-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.72
Rot. Bonds

About 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 58593003) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID58593003
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESCc1cc2c(cc1C)-c1[nH]c(=O)c3ccccc3c1C2
InChIInChI=1S/C18H15NO/c1-10-7-12-9-16-13-5-3-4-6-14(13)18(20)19-17(16)15(12)8-11(10)2/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyIKHZZOKGOYXQSP-UHFFFAOYSA-N
XLogP3.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 58593003) is 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is Cc1cc2c(cc1C)-c1[nH]c(=O)c3ccccc3c1C2.
What is the InChIKey of 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is IKHZZOKGOYXQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-10-7-12-9-16-13-5-3-4-6-14(13)18(20)19-17(16)15(12)8-11(10)2/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 261.32 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 58593003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).