N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide

C25H33N3O2 — CID 50860529

About N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide

N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide (PubChem CID 50860529) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide
• PubChem CID: 50860529
• Molecular Formula: C25H33N3O2
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.26
• IUPAC Name: N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide
• SMILES: CCN1c2cc(C)c(/C=N\NC(=O)c3ccc(C)cc3OC)cc2C(C)CC1(C)C
• InChI: InChI=1S/C25H33N3O2/c1-8-28-22-12-17(3)19(13-21(22)18(4)14-25(28,5)6)15-26-27-24(29)20-10-9-16(2)11-23(20)30-7/h9-13,15,18H,8,14H2,1-7H3,(H,27,29)/b26-15-
• InChIKey: TVHVKZRFOSPOBJ-YSMPRRRNSA-N
• XLogP: 5.19
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide?

The IUPAC name of N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide (CID 50860529) is N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide.

What is the SMILES notation for N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide?

The canonical SMILES for N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide is CCN1c2cc(C)c(/C=N\NC(=O)c3ccc(C)cc3OC)cc2C(C)CC1(C)C.

What is the InChIKey of N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide?

The InChIKey is TVHVKZRFOSPOBJ-YSMPRRRNSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-8-28-22-12-17(3)19(13-21(22)18(4)14-25(28,5)6)15-26-27-24(29)20-10-9-16(2)11-23(20)30-7/h9-13,15,18H,8,14H2,1-7H3,(H,27,29)/b26-15-.

What are the key properties of N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide?

N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide has a molecular weight of 407.56 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 50860529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).