N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide

C28H31N3O — CID 50866711

About N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 50866711) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
• PubChem CID: 50866711
• Molecular Formula: C28H31N3O
• Molecular Weight: 425.58 g/mol
• Exact Mass: 425.25
• IUPAC Name: N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
• SMILES: CCN1c2cc(C)c(/C=N\NC(=O)Cc3cccc4ccccc34)cc2C(C)=CC1(C)C
• InChI: InChI=1S/C28H31N3O/c1-6-31-26-14-19(2)23(15-25(26)20(3)17-28(31,4)5)18-29-30-27(32)16-22-12-9-11-21-10-7-8-13-24(21)22/h7-15,17-18H,6,16H2,1-5H3,(H,30,32)/b29-18-
• InChIKey: ORRWOTXIQPBPQI-MIXAMLLLSA-N
• XLogP: 5.86
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.58
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 50866711) is N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide is CCN1c2cc(C)c(/C=N\NC(=O)Cc3cccc4ccccc34)cc2C(C)=CC1(C)C.

What is the InChIKey of N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide?

The InChIKey is ORRWOTXIQPBPQI-MIXAMLLLSA-N. The full InChI is InChI=1S/C28H31N3O/c1-6-31-26-14-19(2)23(15-25(26)20(3)17-28(31,4)5)18-29-30-27(32)16-22-12-9-11-21-10-7-8-13-24(21)22/h7-15,17-18H,6,16H2,1-5H3,(H,30,32)/b29-18-.

What are the key properties of N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide?

N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 425.58 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 50866711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).