8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione

C20H16N2O3 — CID 56662791

IUPAC8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESCc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)C(=O)CCC2
InChIInChI=1S/C20H16N2O3/c1-11-17-19(18-13(21-11)8-5-9-15(18)23)16(24)10-14(20(17)25)22-12-6-3-2-4-7-12/h2-4,6-7,10,22H,5,8-9H2,1H3
InChIKeyJUNPTWPKSPDLFV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.28
Rot. Bonds2

About 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione

8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (PubChem CID 56662791) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.

Molecular Properties

Compound Name8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
PubChem CID56662791
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
SMILESCc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)C(=O)CCC2
InChIInChI=1S/C20H16N2O3/c1-11-17-19(18-13(21-11)8-5-9-15(18)23)16(24)10-14(20(17)25)22-12-6-3-2-4-7-12/h2-4,6-7,10,22H,5,8-9H2,1H3
InChIKeyJUNPTWPKSPDLFV-UHFFFAOYSA-N
XLogP3.28
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione 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 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The IUPAC name of 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione (CID 56662791) is 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione.
What is the SMILES notation for 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The canonical SMILES for 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is Cc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)C(=O)CCC2.
What is the InChIKey of 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
The InChIKey is JUNPTWPKSPDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-11-17-19(18-13(21-11)8-5-9-15(18)23)16(24)10-14(20(17)25)22-12-6-3-2-4-7-12/h2-4,6-7,10,22H,5,8-9H2,1H3.
What are the key properties of 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione?
8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione has a molecular weight of 332.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-6-methyl-3,4-dihydro-2H-phenanthridine-1,7,10-trione is sourced from PubChem (CID 56662791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).