4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione

C20H16N2O2 — CID 2784876

IUPAC4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione
SMILESCCc1c(=O)n(-c2ccccc2)c(=O)n2c1ccc1ccccc12
InChIInChI=1S/C20H16N2O2/c1-2-16-18-13-12-14-8-6-7-11-17(14)22(18)20(24)21(19(16)23)15-9-4-3-5-10-15/h3-13H,2H2,1H3
InChIKeyXCHLMIFVGBZPPY-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.17
Rot. Bonds2

About 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione

4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione (PubChem CID 2784876) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione.

Molecular Properties

Compound Name4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione
PubChem CID2784876
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione
SMILESCCc1c(=O)n(-c2ccccc2)c(=O)n2c1ccc1ccccc12
InChIInChI=1S/C20H16N2O2/c1-2-16-18-13-12-14-8-6-7-11-17(14)22(18)20(24)21(19(16)23)15-9-4-3-5-10-15/h3-13H,2H2,1H3
InChIKeyXCHLMIFVGBZPPY-UHFFFAOYSA-N
XLogP3.17
TPSA43.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-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-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione?
The IUPAC name of 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione (CID 2784876) is 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione.
What is the SMILES notation for 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione?
The canonical SMILES for 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione is CCc1c(=O)n(-c2ccccc2)c(=O)n2c1ccc1ccccc12.
What is the InChIKey of 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione?
The InChIKey is XCHLMIFVGBZPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-16-18-13-12-14-8-6-7-11-17(14)22(18)20(24)21(19(16)23)15-9-4-3-5-10-15/h3-13H,2H2,1H3.
What are the key properties of 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione?
4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione has a molecular weight of 316.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione is sourced from PubChem (CID 2784876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).