1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine

C23H30N2O — CID 50861711

IUPAC1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3cccc(C)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C23H30N2O/c1-7-25-21-13-22(26-6)18(12-20(21)17(3)14-23(25,4)5)15-24-19-10-8-9-16(2)11-19/h8-13,15,17H,7,14H2,1-6H3/b24-15+
InChIKeyDHKRKZYMINALGM-BUVRLJJBSA-N
MW350.51 g/mol
LogP5.87
Rot. Bonds4

About 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine

1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine (PubChem CID 50861711) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine
PubChem CID50861711
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3cccc(C)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C23H30N2O/c1-7-25-21-13-22(26-6)18(12-20(21)17(3)14-23(25,4)5)15-24-19-10-8-9-16(2)11-19/h8-13,15,17H,7,14H2,1-6H3/b24-15+
InChIKeyDHKRKZYMINALGM-BUVRLJJBSA-N
XLogP5.87
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine with MolForge

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Related Compounds

1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine
CID 50861593
N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862167
N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860862
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 50861157
1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine
CID 124631427
(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130482
N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859775
1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 99865775
5-chloro-2-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenol
CID 50861788
1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine
CID 99865763
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
methyl 4-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50862176

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine?
The IUPAC name of 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine (CID 50861711) is 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine is CCN1c2cc(OC)c(/C=N/c3cccc(C)c3)cc2C(C)CC1(C)C.
What is the InChIKey of 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine?
The InChIKey is DHKRKZYMINALGM-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H30N2O/c1-7-25-21-13-22(26-6)18(12-20(21)17(3)14-23(25,4)5)15-24-19-10-8-9-16(2)11-19/h8-13,15,17H,7,14H2,1-6H3/b24-15+.
What are the key properties of 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine?
1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine has a molecular weight of 350.51 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-methylphenyl)methanimine is sourced from PubChem (CID 50861711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).