N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine

C22H27ClN2O — CID 50860675

IUPACN-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/c3cc(Cl)ccc3OC)cc2C(C)CC1(C)C
InChIInChI=1S/C22H27ClN2O/c1-6-25-20-9-7-16(11-18(20)15(2)13-22(25,3)4)14-24-19-12-17(23)8-10-21(19)26-5/h7-12,14-15H,6,13H2,1-5H3/b24-14+
InChIKeyZEYRLHIZMOEVOH-ZVHZXABRSA-N
MW370.92 g/mol
LogP6.21
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50860675) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50860675
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCN1c2ccc(/C=N/c3cc(Cl)ccc3OC)cc2C(C)CC1(C)C
InChIInChI=1S/C22H27ClN2O/c1-6-25-20-9-7-16(11-18(20)15(2)13-22(25,3)4)14-24-19-12-17(23)8-10-21(19)26-5/h7-12,14-15H,6,13H2,1-5H3/b24-14+
InChIKeyZEYRLHIZMOEVOH-ZVHZXABRSA-N
XLogP6.21
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine
CID 50860421
5-chloro-2-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenol
CID 50861788
N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine
CID 124832377
1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 99865717
1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine
CID 124631428
N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862687
4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
CID 50860641
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 50861157
N-(3-chloro-4-fluorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862633
N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862167
N-[4-(3-chlorophenoxy)phenyl]-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862266
N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 50860277

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50860675) is N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine is CCN1c2ccc(/C=N/c3cc(Cl)ccc3OC)cc2C(C)CC1(C)C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is ZEYRLHIZMOEVOH-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-6-25-20-9-7-16(11-18(20)15(2)13-22(25,3)4)14-24-19-12-17(23)8-10-21(19)26-5/h7-12,14-15H,6,13H2,1-5H3/b24-14+.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 370.92 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50860675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).