8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione

C19H17N3O3 — CID 5341572

IUPAC8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccccc2)C1
InChIInChI=1S/C19H17N3O3/c1-19(2)8-11-14(12(23)9-19)13(10-6-4-3-5-7-10)15-16(20-11)21-18(25)22-17(15)24/h3-7H,8-9H2,1-2H3,(H2,20,21,22,24,25)
InChIKeyQCZIBVAOWTYDRC-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.43
Rot. Bonds1

About 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione

8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 5341572) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID5341572
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccccc2)C1
InChIInChI=1S/C19H17N3O3/c1-19(2)8-11-14(12(23)9-19)13(10-6-4-3-5-7-10)15-16(20-11)21-18(25)22-17(15)24/h3-7H,8-9H2,1-2H3,(H2,20,21,22,24,25)
InChIKeyQCZIBVAOWTYDRC-UHFFFAOYSA-N
XLogP2.43
TPSA95.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-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 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione (CID 5341572) is 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione is CC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccccc2)C1.
What is the InChIKey of 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is QCZIBVAOWTYDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-19(2)8-11-14(12(23)9-19)13(10-6-4-3-5-7-10)15-16(20-11)21-18(25)22-17(15)24/h3-7H,8-9H2,1-2H3,(H2,20,21,22,24,25).
What are the key properties of 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione?
8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 335.36 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5-phenyl-7,9-dihydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 5341572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).