4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline

C₂₁H₁₉N₃ — CID 162692975

About 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline

4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline (PubChem CID 162692975) has the molecular formula C₂₁H₁₉N₃ and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline.

Molecular Properties

• Compound Name: 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline
• PubChem CID: 162692975
• Molecular Formula: C₂₁H₁₉N₃
• Molecular Weight: 313.40 g/mol
• Exact Mass: 313.16
• IUPAC Name: 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline
• SMILES: Cc1cc(C)cc(-c2ncnc3c2ccc2cc(C)nc(C)c23)c1
• InChI: InChI=1S/C21H19N3/c1-12-7-13(2)9-17(8-12)20-18-6-5-16-10-14(3)24-15(4)19(16)21(18)23-11-22-20/h5-11H,1-4H3
• InChIKey: GMNUCGHCJHUOAW-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline?

The IUPAC name of 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline (CID 162692975) is 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline.

What is the SMILES notation for 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline?

The canonical SMILES for 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline is Cc1cc(C)cc(-c2ncnc3c2ccc2cc(C)nc(C)c23)c1.

What is the InChIKey of 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline?

The InChIKey is GMNUCGHCJHUOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-12-7-13(2)9-17(8-12)20-18-6-5-16-10-14(3)24-15(4)19(16)21(18)23-11-22-20/h5-11H,1-4H3.

What are the key properties of 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline?

4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline has a molecular weight of 313.40 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylphenyl)-8,10-dimethylpyrido[4,3-h]quinazoline is sourced from PubChem (CID 162692975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162692975 — identifiers, structure, computed properties (public domain)

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