2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione

C16H10N2O2 — CID 70335444

IUPAC2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione
SMILESNc1ccc2c(=O)[nH]c3c(c2c1)C(=O)c1ccccc1-3
InChIInChI=1S/C16H10N2O2/c17-8-5-6-11-12(7-8)13-14(18-16(11)20)9-3-1-2-4-10(9)15(13)19/h1-7H,17H2,(H,18,20)
InChIKeyPVWNRPXIYHSSAL-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.32
Rot. Bonds

About 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione

2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 70335444) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID70335444
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione
SMILESNc1ccc2c(=O)[nH]c3c(c2c1)C(=O)c1ccccc1-3
InChIInChI=1S/C16H10N2O2/c17-8-5-6-11-12(7-8)13-14(18-16(11)20)9-3-1-2-4-10(9)15(13)19/h1-7H,17H2,(H,18,20)
InChIKeyPVWNRPXIYHSSAL-UHFFFAOYSA-N
XLogP2.32
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione 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 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione (CID 70335444) is 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione is Nc1ccc2c(=O)[nH]c3c(c2c1)C(=O)c1ccccc1-3.
What is the InChIKey of 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is PVWNRPXIYHSSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c17-8-5-6-11-12(7-8)13-14(18-16(11)20)9-3-1-2-4-10(9)15(13)19/h1-7H,17H2,(H,18,20).
What are the key properties of 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione?
2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 262.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 70335444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).