12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one

C17H15NO2 — CID 56641534

IUPAC12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
SMILESCc1ccc2c(c1)CCN1C(=O)c3ccccc3C21O
InChIInChI=1S/C17H15NO2/c1-11-6-7-14-12(10-11)8-9-18-16(19)13-4-2-3-5-15(13)17(14,18)20/h2-7,10,20H,8-9H2,1H3
InChIKeyTYGRLQCEEQQXHM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.20
Rot. Bonds

About 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one

12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one (PubChem CID 56641534) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one.

Molecular Properties

Compound Name12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
PubChem CID56641534
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
SMILESCc1ccc2c(c1)CCN1C(=O)c3ccccc3C21O
InChIInChI=1S/C17H15NO2/c1-11-6-7-14-12(10-11)8-9-18-16(19)13-4-2-3-5-15(13)17(14,18)20/h2-7,10,20H,8-9H2,1H3
InChIKeyTYGRLQCEEQQXHM-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one?
The IUPAC name of 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one (CID 56641534) is 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one.
What is the SMILES notation for 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one?
The canonical SMILES for 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one is Cc1ccc2c(c1)CCN1C(=O)c3ccccc3C21O.
What is the InChIKey of 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one?
The InChIKey is TYGRLQCEEQQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-6-7-14-12(10-11)8-9-18-16(19)13-4-2-3-5-15(13)17(14,18)20/h2-7,10,20H,8-9H2,1H3.
What are the key properties of 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one?
12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one has a molecular weight of 265.31 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12b-hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one is sourced from PubChem (CID 56641534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).