2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane

C26H35N5O — CID 145275527

About 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane

2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane (PubChem CID 145275527) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane.

Molecular Properties

• Compound Name: 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane
• PubChem CID: 145275527
• Molecular Formula: C26H35N5O
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.28
• IUPAC Name: 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane
• SMILES: CC.CCCCCC.Cc1nc(Cc2nc3cnc4ccc(C#N)cc4c3n2C)c(C)o1
• InChI: InChI=1S/C18H15N5O.C6H14.C2H6/c1-10-15(21-11(2)24-10)7-17-22-16-9-20-14-5-4-12(8-19)6-13(14)18(16)23(17)3;1-3-5-6-4-2;1-2/h4-6,9H,7H2,1-3H3;3-6H2,1-2H3;1-2H3
• InChIKey: PPFBFICQVQEJPR-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 80.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane?

The IUPAC name of 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane (CID 145275527) is 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane.

What is the SMILES notation for 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane?

The canonical SMILES for 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane is CC.CCCCCC.Cc1nc(Cc2nc3cnc4ccc(C#N)cc4c3n2C)c(C)o1.

What is the InChIKey of 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane?

The InChIKey is PPFBFICQVQEJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.C6H14.C2H6/c1-10-15(21-11(2)24-10)7-17-22-16-9-20-14-5-4-12(8-19)6-13(14)18(16)23(17)3;1-3-5-6-4-2;1-2/h4-6,9H,7H2,1-3H3;3-6H2,1-2H3;1-2H3.

What are the key properties of 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane?

2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane has a molecular weight of 433.60 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile;ethane;hexane is sourced from PubChem (CID 145275527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).