1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine

C24H31ClN2 — CID 50862972

IUPAC1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
SMILESCCCN1c2cc(Cl)c(/C=N/c3ccc(CC)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31ClN2/c1-6-12-27-23-14-22(25)19(13-21(23)17(3)15-24(27,4)5)16-26-20-10-8-18(7-2)9-11-20/h8-11,13-14,16-17H,6-7,12,15H2,1-5H3/b26-16+
InChIKeyBTAADLZUIVDTAA-WGOQTCKBSA-N
MW382.98 g/mol
LogP7.16
Rot. Bonds5

About 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine

1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine (PubChem CID 50862972) has the molecular formula C24H31ClN2 and a molecular weight of 382.98 g/mol. Its IUPAC name is 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
PubChem CID50862972
Molecular FormulaC24H31ClN2
Molecular Weight382.98 g/mol
Exact Mass382.22
IUPAC Name1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
SMILESCCCN1c2cc(Cl)c(/C=N/c3ccc(CC)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31ClN2/c1-6-12-27-23-14-22(25)19(13-21(23)17(3)15-24(27,4)5)16-26-20-10-8-18(7-2)9-11-20/h8-11,13-14,16-17H,6-7,12,15H2,1-5H3/b26-16+
InChIKeyBTAADLZUIVDTAA-WGOQTCKBSA-N
XLogP7.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.98
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)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

1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine
CID 50863433
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine
CID 50861116
N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863409
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine
CID 50863464
N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863534
1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50861559
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-fluorophenyl)methanimine
CID 50861380
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine
CID 50861005
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 50861157
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine
CID 50863707
N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860825
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine
CID 50861198

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine (CID 50862972) is 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine is CCCN1c2cc(Cl)c(/C=N/c3ccc(CC)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine?
The InChIKey is BTAADLZUIVDTAA-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H31ClN2/c1-6-12-27-23-14-22(25)19(13-21(23)17(3)15-24(27,4)5)16-26-20-10-8-18(7-2)9-11-20/h8-11,13-14,16-17H,6-7,12,15H2,1-5H3/b26-16+.
What are the key properties of 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine?
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine has a molecular weight of 382.98 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 50862972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).