2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline

C32H26N4 — CID 171766331

About 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline

2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline (PubChem CID 171766331) has the molecular formula C32H26N4 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline.

Molecular Properties

• Compound Name: 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline
• PubChem CID: 171766331
• Molecular Formula: C32H26N4
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.22
• IUPAC Name: 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline
• SMILES: Cc1ccnc(-c2ccc(C)c(-c3cncc(-c4cc5ncc(C)cc5c5ccc(C)cc45)n3)c2)c1
• InChI: InChI=1S/C32H26N4/c1-19-5-8-24-26(11-19)28(15-30-27(24)12-21(3)16-35-30)32-18-33-17-31(36-32)25-14-23(7-6-22(25)4)29-13-20(2)9-10-34-29/h5-18H,1-4H3
• InChIKey: LKQPAJOCQWJFPR-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	7.81
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 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline?

The IUPAC name of 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline (CID 171766331) is 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline.

What is the SMILES notation for 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline?

The canonical SMILES for 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline is Cc1ccnc(-c2ccc(C)c(-c3cncc(-c4cc5ncc(C)cc5c5ccc(C)cc45)n3)c2)c1.

What is the InChIKey of 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline?

The InChIKey is LKQPAJOCQWJFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4/c1-19-5-8-24-26(11-19)28(15-30-27(24)12-21(3)16-35-30)32-18-33-17-31(36-32)25-14-23(7-6-22(25)4)29-13-20(2)9-10-34-29/h5-18H,1-4H3.

What are the key properties of 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline?

2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline has a molecular weight of 466.59 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline is sourced from PubChem (CID 171766331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).