1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone

C22H25ClN2O — CID 50859238

About 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone

1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone (PubChem CID 50859238) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone
• PubChem CID: 50859238
• Molecular Formula: C22H25ClN2O
• Molecular Weight: 368.91 g/mol
• Exact Mass: 368.17
• IUPAC Name: 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone
• SMILES: CC(=O)c1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)CC3C)cc1
• InChI: InChI=1S/C22H25ClN2O/c1-14-12-22(3,4)25(5)21-11-20(23)17(10-19(14)21)13-24-18-8-6-16(7-9-18)15(2)26/h6-11,13-14H,12H2,1-5H3/b24-13+
• InChIKey: FVQZUTOLGVSUDE-ZMOGYAJESA-N
• XLogP: 6.02
• TPSA: 32.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.91
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
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 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone?

The IUPAC name of 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone (CID 50859238) is 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone.

What is the SMILES notation for 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone?

The canonical SMILES for 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone is CC(=O)c1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)CC3C)cc1.

What is the InChIKey of 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone?

The InChIKey is FVQZUTOLGVSUDE-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-14-12-22(3,4)25(5)21-11-20(23)17(10-19(14)21)13-24-18-8-6-16(7-9-18)15(2)26/h6-11,13-14H,12H2,1-5H3/b24-13+.

What are the key properties of 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone?

1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone has a molecular weight of 368.91 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 50859238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).