N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

C26H25N3O3 — CID 126030174

About N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 126030174) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

• Compound Name: N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
• PubChem CID: 126030174
• Molecular Formula: C26H25N3O3
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.19
• IUPAC Name: N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
• SMILES: CC[C@@H](C)Oc1ccc2ccccc2c1/C=N/NC(=O)COc1cccc2cccnc12
• InChI: InChI=1S/C26H25N3O3/c1-3-18(2)32-23-14-13-19-8-4-5-11-21(19)22(23)16-28-29-25(30)17-31-24-12-6-9-20-10-7-15-27-26(20)24/h4-16,18H,3,17H2,1-2H3,(H,29,30)/b28-16+/t18-/m1/s1
• InChIKey: IDVBVIOVSOQKQK-GBYSFBBLSA-N
• XLogP: 5.09
• TPSA: 72.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?

The IUPAC name of N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (CID 126030174) is N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.

What is the SMILES notation for N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?

The canonical SMILES for N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is CC[C@@H](C)Oc1ccc2ccccc2c1/C=N/NC(=O)COc1cccc2cccnc12.

What is the InChIKey of N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?

The InChIKey is IDVBVIOVSOQKQK-GBYSFBBLSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-3-18(2)32-23-14-13-19-8-4-5-11-21(19)22(23)16-28-29-25(30)17-31-24-12-6-9-20-10-7-15-27-26(20)24/h4-16,18H,3,17H2,1-2H3,(H,29,30)/b28-16+/t18-/m1/s1.

What are the key properties of N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?

N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 427.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[2-[(2R)-butan-2-yl]oxynaphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 126030174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).