3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione

C19H15N3O2 — CID 699609

IUPAC3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2cc2ccccc21
InChIInChI=1S/C19H15N3O2/c1-12-7-3-5-9-15(12)22-16-10-6-4-8-13(16)11-14-17(22)20-19(24)21(2)18(14)23/h3-11H,1-2H3
InChIKeyDJHIOEKUXPOFCL-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.50
Rot. Bonds1

About 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione

3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 699609) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
PubChem CID699609
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2cc2ccccc21
InChIInChI=1S/C19H15N3O2/c1-12-7-3-5-9-15(12)22-16-10-6-4-8-13(16)11-14-17(22)20-19(24)21(2)18(14)23/h3-11H,1-2H3
InChIKeyDJHIOEKUXPOFCL-UHFFFAOYSA-N
XLogP2.50
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione (CID 699609) is 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione is Cc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2cc2ccccc21.
What is the InChIKey of 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is DJHIOEKUXPOFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-7-3-5-9-15(12)22-16-10-6-4-8-13(16)11-14-17(22)20-19(24)21(2)18(14)23/h3-11H,1-2H3.
What are the key properties of 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 699609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).