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

C19H15N3O2 — CID 680846

IUPAC3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)cc1
InChIInChI=1S/C19H15N3O2/c1-12-7-9-14(10-8-12)22-16-6-4-3-5-13(16)11-15-17(22)20-19(24)21(2)18(15)23/h3-11H,1-2H3
InChIKeyVTZFQICGFIQGLW-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.50
Rot. Bonds1

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

3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 680846) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
PubChem CID680846
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)cc1
InChIInChI=1S/C19H15N3O2/c1-12-7-9-14(10-8-12)22-16-6-4-3-5-13(16)11-15-17(22)20-19(24)21(2)18(15)23/h3-11H,1-2H3
InChIKeyVTZFQICGFIQGLW-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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Related Compounds

2,4-Dioxo-10-phenylpyrimido[4,5-b]quinoline-8-carbonitrile
CID 71818867
10-(2,5-dimethylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 950772
6-chloro-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 744078
3-butyl-10-(4-chlorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 1779137
10-(4-Methylphenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
CID 931309
3-Methyl-10-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
CID 699609
6-chloro-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 744080
10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 929592
3-Butyl-10-o-tolyl-10H-pyrimido[4,5-b]quinoline-2,4-dione
CID 1869633
3-butyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
CID 1890678
1-(4-methylphenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
CID 3238489
10-Methyl-1-(4-methylphenyl)-2,5-bis(oxidanylidene)dipyrido[3,4-c:1'',2''-f]pyrimidine-3-carbonitrile
CID 9550569

Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione (CID 680846) is 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione is Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)cc1.
What is the InChIKey of 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is VTZFQICGFIQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-7-9-14(10-8-12)22-16-6-4-3-5-13(16)11-15-17(22)20-19(24)21(2)18(15)23/h3-11H,1-2H3.
What are the key properties of 3-methyl-10-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
3-methyl-10-(4-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-(4-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 680846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).