2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline

C31H24N4 — CID 171766337

About 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline

2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline (PubChem CID 171766337) has the molecular formula C31H24N4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline.

Molecular Properties

• Compound Name: 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline
• PubChem CID: 171766337
• Molecular Formula: C31H24N4
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.20
• IUPAC Name: 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline
• SMILES: Cc1ccnc(-c2cccc(-c3cncc(-c4cc5ncc(C)cc5c5cc(C)ccc45)n3)c2)c1
• InChI: InChI=1S/C31H24N4/c1-19-7-8-24-25(11-19)26-12-21(3)16-34-29(26)15-27(24)31-18-32-17-30(35-31)23-6-4-5-22(14-23)28-13-20(2)9-10-33-28/h4-18H,1-3H3
• InChIKey: DDCUCDJQVIJVKL-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline?

The IUPAC name of 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline (CID 171766337) is 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline.

What is the SMILES notation for 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline?

The canonical SMILES for 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline is Cc1ccnc(-c2cccc(-c3cncc(-c4cc5ncc(C)cc5c5cc(C)ccc45)n3)c2)c1.

What is the InChIKey of 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline?

The InChIKey is DDCUCDJQVIJVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4/c1-19-7-8-24-25(11-19)26-12-21(3)16-34-29(26)15-27(24)31-18-32-17-30(35-31)23-6-4-5-22(14-23)28-13-20(2)9-10-33-28/h4-18H,1-3H3.

What are the key properties of 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline?

2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline has a molecular weight of 452.56 g/mol, XLogP of 7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline is sourced from PubChem (CID 171766337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).