2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione

C20H14N2O3 — CID 57391423

IUPAC2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione
SMILESCN1CC2=C(C(=O)c3ccccc3C2=O)C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H14N2O3/c1-22-10-13-16(18(24)12-7-3-2-6-11(12)17(13)23)20(22)14-8-4-5-9-15(14)21-19(20)25/h2-9H,10H2,1H3,(H,21,25)
InChIKeyIBWUGLRRRIOIBF-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.16
Rot. Bonds

About 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione

2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione (PubChem CID 57391423) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione.

Molecular Properties

Compound Name2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione
PubChem CID57391423
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione
SMILESCN1CC2=C(C(=O)c3ccccc3C2=O)C12C(=O)Nc1ccccc12
InChIInChI=1S/C20H14N2O3/c1-22-10-13-16(18(24)12-7-3-2-6-11(12)17(13)23)20(22)14-8-4-5-9-15(14)21-19(20)25/h2-9H,10H2,1H3,(H,21,25)
InChIKeyIBWUGLRRRIOIBF-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione with MolForge

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

Launch Full Analysis

Related Compounds

5'-methyl-2-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]spiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione
CID 71682830
2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione
CID 101495320
CID 97038251
CID 97038251
1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one
CID 134791223
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
CID 146949857
CID 146949857
2,4,4-trimethyl-3H-isoquinolin-1-one
CID 21300145
3-(4-hydroxyphenyl)-3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1H-indol-2-one
CID 178162009
CID 10949890
CID 10949890
3,3-bis(1-methylpyrrol-2-yl)-1H-indol-2-one
CID 86100941

Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione?
The IUPAC name of 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione (CID 57391423) is 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione.
What is the SMILES notation for 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione?
The canonical SMILES for 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione is CN1CC2=C(C(=O)c3ccccc3C2=O)C12C(=O)Nc1ccccc12.
What is the InChIKey of 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione?
The InChIKey is IBWUGLRRRIOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-22-10-13-16(18(24)12-7-3-2-6-11(12)17(13)23)20(22)14-8-4-5-9-15(14)21-19(20)25/h2-9H,10H2,1H3,(H,21,25).
What are the key properties of 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione?
2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione has a molecular weight of 330.34 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[1H-benzo[f]isoindole-3,3'-1H-indole]-2',4,9-trione is sourced from PubChem (CID 57391423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).