N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide

C28H30FN3O — CID 50869439

About N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 50869439) has the molecular formula C28H30FN3O and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
• PubChem CID: 50869439
• Molecular Formula: C28H30FN3O
• Molecular Weight: 443.57 g/mol
• Exact Mass: 443.24
• IUPAC Name: N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
• SMILES: CCCN1c2cc(F)c(/C=N\NC(=O)Cc3cccc4ccccc34)cc2C(C)=CC1(C)C
• InChI: InChI=1S/C28H30FN3O/c1-5-13-32-26-16-25(29)22(14-24(26)19(2)17-28(32,3)4)18-30-31-27(33)15-21-11-8-10-20-9-6-7-12-23(20)21/h6-12,14,16-18H,5,13,15H2,1-4H3,(H,31,33)/b30-18-
• InChIKey: KOWRNJXUDKIGMX-YKQZZPSBSA-N
• XLogP: 6.08
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.57
LogP ≤ 5	6.08
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)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 50869439) is N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide.

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

The canonical SMILES for N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide is CCCN1c2cc(F)c(/C=N\NC(=O)Cc3cccc4ccccc34)cc2C(C)=CC1(C)C.

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

The InChIKey is KOWRNJXUDKIGMX-YKQZZPSBSA-N. The full InChI is InChI=1S/C28H30FN3O/c1-5-13-32-26-16-25(29)22(14-24(26)19(2)17-28(32,3)4)18-30-31-27(33)15-21-11-8-10-20-9-6-7-12-23(20)21/h6-12,14,16-18H,5,13,15H2,1-4H3,(H,31,33)/b30-18-.

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

N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 443.57 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 50869439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).