1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione

C19H17N3O3 — CID 4891701

IUPAC1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCn1c(=O)c2cc3c(nc2n(C)c1=O)CC(c1ccccc1)CC3=O
InChIInChI=1S/C19H17N3O3/c1-21-17-14(18(24)22(2)19(21)25)10-13-15(20-17)8-12(9-16(13)23)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyVZZCFOWJTLPKRM-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.54
Rot. Bonds1

About 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione

1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 4891701) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID4891701
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCn1c(=O)c2cc3c(nc2n(C)c1=O)CC(c1ccccc1)CC3=O
InChIInChI=1S/C19H17N3O3/c1-21-17-14(18(24)22(2)19(21)25)10-13-15(20-17)8-12(9-16(13)23)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyVZZCFOWJTLPKRM-UHFFFAOYSA-N
XLogP1.54
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-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 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione (CID 4891701) is 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione is Cn1c(=O)c2cc3c(nc2n(C)c1=O)CC(c1ccccc1)CC3=O.
What is the InChIKey of 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is VZZCFOWJTLPKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-17-14(18(24)22(2)19(21)25)10-13-15(20-17)8-12(9-16(13)23)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione?
1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 335.36 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 4891701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).