7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline

C₂₁H₂₄N₂O₂ — CID 156880216

About 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline

7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline (PubChem CID 156880216) has the molecular formula C₂₁H₂₄N₂O₂ and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline.

Molecular Properties

• Compound Name: 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline
• PubChem CID: 156880216
• Molecular Formula: C₂₁H₂₄N₂O₂
• Molecular Weight: 336.44 g/mol
• Exact Mass: 336.18
• IUPAC Name: 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline
• SMILES: COCOc1ccc2c(-c3ccnc(C)c3)c(C(C)C)c(C)nc2c1
• InChI: InChI=1S/C21H24N2O2/c1-13(2)20-15(4)23-19-11-17(25-12-24-5)6-7-18(19)21(20)16-8-9-22-14(3)10-16/h6-11,13H,12H2,1-5H3
• InChIKey: KBSOIHUKNLACJJ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.44
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline?

The IUPAC name of 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline (CID 156880216) is 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline.

What is the SMILES notation for 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline?

The canonical SMILES for 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline is COCOc1ccc2c(-c3ccnc(C)c3)c(C(C)C)c(C)nc2c1.

What is the InChIKey of 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline?

The InChIKey is KBSOIHUKNLACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13(2)20-15(4)23-19-11-17(25-12-24-5)6-7-18(19)21(20)16-8-9-22-14(3)10-16/h6-11,13H,12H2,1-5H3.

What are the key properties of 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline?

7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline has a molecular weight of 336.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline is sourced from PubChem (CID 156880216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156880216 — identifiers, structure, computed properties (public domain)

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