4-amino-1,4,6-trimethylquinoline-2,3-dione

C12H14N2O2 — CID 70795785

IUPAC4-amino-1,4,6-trimethylquinoline-2,3-dione
SMILESCc1ccc2c(c1)C(C)(N)C(=O)C(=O)N2C
InChIInChI=1S/C12H14N2O2/c1-7-4-5-9-8(6-7)12(2,13)10(15)11(16)14(9)3/h4-6H,13H2,1-3H3
InChIKeyABLWEYFVFRRYPF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.71
Rot. Bonds

About 4-amino-1,4,6-trimethylquinoline-2,3-dione

4-amino-1,4,6-trimethylquinoline-2,3-dione (PubChem CID 70795785) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-amino-1,4,6-trimethylquinoline-2,3-dione.

Molecular Properties

Compound Name4-amino-1,4,6-trimethylquinoline-2,3-dione
PubChem CID70795785
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-amino-1,4,6-trimethylquinoline-2,3-dione
SMILESCc1ccc2c(c1)C(C)(N)C(=O)C(=O)N2C
InChIInChI=1S/C12H14N2O2/c1-7-4-5-9-8(6-7)12(2,13)10(15)11(16)14(9)3/h4-6H,13H2,1-3H3
InChIKeyABLWEYFVFRRYPF-UHFFFAOYSA-N
XLogP0.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-amino-1,4,6-trimethylquinoline-2,3-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 4-amino-1,4,6-trimethylquinoline-2,3-dione?
The IUPAC name of 4-amino-1,4,6-trimethylquinoline-2,3-dione (CID 70795785) is 4-amino-1,4,6-trimethylquinoline-2,3-dione.
What is the SMILES notation for 4-amino-1,4,6-trimethylquinoline-2,3-dione?
The canonical SMILES for 4-amino-1,4,6-trimethylquinoline-2,3-dione is Cc1ccc2c(c1)C(C)(N)C(=O)C(=O)N2C.
What is the InChIKey of 4-amino-1,4,6-trimethylquinoline-2,3-dione?
The InChIKey is ABLWEYFVFRRYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-4-5-9-8(6-7)12(2,13)10(15)11(16)14(9)3/h4-6H,13H2,1-3H3.
What are the key properties of 4-amino-1,4,6-trimethylquinoline-2,3-dione?
4-amino-1,4,6-trimethylquinoline-2,3-dione has a molecular weight of 218.26 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,4,6-trimethylquinoline-2,3-dione is sourced from PubChem (CID 70795785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).