N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide

C24H30FN3O — CID 50863699

About N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide

N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide (PubChem CID 50863699) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
• PubChem CID: 50863699
• Molecular Formula: C24H30FN3O
• Molecular Weight: 395.52 g/mol
• Exact Mass: 395.24
• IUPAC Name: N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
• SMILES: CCCN1c2cc(F)c(/C=N/c3ccc(NC(C)=O)cc3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C24H30FN3O/c1-6-11-28-23-13-22(25)18(12-21(23)16(2)14-24(28,4)5)15-26-19-7-9-20(10-8-19)27-17(3)29/h7-10,12-13,15-16H,6,11,14H2,1-5H3,(H,27,29)/b26-15+
• InChIKey: QECDCEIHWYSCAA-CVKSISIWSA-N
• XLogP: 6.04
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.52
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide?

The IUPAC name of N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide (CID 50863699) is N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide.

What is the SMILES notation for N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide?

The canonical SMILES for N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide is CCCN1c2cc(F)c(/C=N/c3ccc(NC(C)=O)cc3)cc2C(C)CC1(C)C.

What is the InChIKey of N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide?

The InChIKey is QECDCEIHWYSCAA-CVKSISIWSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-6-11-28-23-13-22(25)18(12-21(23)16(2)14-24(28,4)5)15-26-19-7-9-20(10-8-19)27-17(3)29/h7-10,12-13,15-16H,6,11,14H2,1-5H3,(H,27,29)/b26-15+.

What are the key properties of N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide?

N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide has a molecular weight of 395.52 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 50863699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).