N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine

C28H32N2O2 — CID 99865632

About N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine

N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine (PubChem CID 99865632) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine.

Molecular Properties

• Compound Name: N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
• PubChem CID: 99865632
• Molecular Formula: C28H32N2O2
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.25
• IUPAC Name: N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
• SMILES: COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)cc2)cc1
• InChI: InChI=1S/C28H32N2O2/c1-19-15-27-26(20(2)17-28(3,4)30(27)5)16-21(19)18-29-22-7-9-24(10-8-22)32-25-13-11-23(31-6)12-14-25/h7-16,18,20H,17H2,1-6H3/b29-18+/t20-/m0/s1
• InChIKey: VYYVYIQJGJIFEM-MJDZGMBVSA-N
• XLogP: 7.27
• TPSA: 34.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine?

The IUPAC name of N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine (CID 99865632) is N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine.

What is the SMILES notation for N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine?

The canonical SMILES for N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine is COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)cc2)cc1.

What is the InChIKey of N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine?

The InChIKey is VYYVYIQJGJIFEM-MJDZGMBVSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-19-15-27-26(20(2)17-28(3,4)30(27)5)16-21(19)18-29-22-7-9-24(10-8-22)32-25-13-11-23(31-6)12-14-25/h7-16,18,20H,17H2,1-6H3/b29-18+/t20-/m0/s1.

What are the key properties of N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine?

N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine has a molecular weight of 428.58 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine is sourced from PubChem (CID 99865632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).