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

C27H30N2O2 — CID 99865585

IUPACN-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
SMILESCOc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1
InChIInChI=1S/C27H30N2O2/c1-19-17-27(2,3)29(4)26-15-6-20(16-25(19)26)18-28-21-7-9-23(10-8-21)31-24-13-11-22(30-5)12-14-24/h6-16,18-19H,17H2,1-5H3/b28-18+/t19-/m0/s1
InChIKeyMDFRIDBNLNXLKE-VKLJRCAFSA-N
MW414.55 g/mol
LogP6.96
Rot. Bonds5

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

N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine (PubChem CID 99865585) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
PubChem CID99865585
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
SMILESCOc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1
InChIInChI=1S/C27H30N2O2/c1-19-17-27(2,3)29(4)26-15-6-20(16-25(19)26)18-28-21-7-9-23(10-8-21)31-24-13-11-22(30-5)12-14-24/h6-16,18-19H,17H2,1-5H3/b28-18+/t19-/m0/s1
InChIKeyMDFRIDBNLNXLKE-VKLJRCAFSA-N
XLogP6.96
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865581
1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 99865717
N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865632
N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865608
N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858629
N-(4-propan-2-ylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858559
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859939
N-[4-(3-methoxyphenoxy)phenyl]-1-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858687
N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858542
N-[4-(3-chlorophenoxy)phenyl]-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862266
N-(4-bromo-3-chlorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858526
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859359

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The IUPAC name of N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine (CID 99865585) is N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine.
What is the SMILES notation for N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The canonical SMILES for N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine is COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
The InChIKey is MDFRIDBNLNXLKE-VKLJRCAFSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-19-17-27(2,3)29(4)26-15-6-20(16-25(19)26)18-28-21-7-9-23(10-8-21)31-24-13-11-22(30-5)12-14-24/h6-16,18-19H,17H2,1-5H3/b28-18+/t19-/m0/s1.
What are the key properties of N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine?
N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine has a molecular weight of 414.55 g/mol, XLogP of 6.96, 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-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine is sourced from PubChem (CID 99865585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).