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

C24H31ClN2 — CID 50863433

IUPAC1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine
SMILESCCCN1c2cc(Cl)c(/C=N/c3ccc(C)c(C)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31ClN2/c1-7-10-27-23-13-22(25)19(12-21(23)18(4)14-24(27,5)6)15-26-20-9-8-16(2)17(3)11-20/h8-9,11-13,15,18H,7,10,14H2,1-6H3/b26-15+
InChIKeyTYMFROYPQGSUDT-CVKSISIWSA-N
MW382.98 g/mol
LogP7.21
Rot. Bonds4

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

1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine (PubChem CID 50863433) 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-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine
PubChem CID50863433
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-(3,4-dimethylphenyl)methanimine
SMILESCCCN1c2cc(Cl)c(/C=N/c3ccc(C)c(C)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31ClN2/c1-7-10-27-23-13-22(25)19(12-21(23)18(4)14-24(27,5)6)15-26-20-9-8-16(2)17(3)11-20/h8-9,11-13,15,18H,7,10,14H2,1-6H3/b26-15+
InChIKeyTYMFROYPQGSUDT-CVKSISIWSA-N
XLogP7.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.98
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine (CID 50863433) is 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine is CCCN1c2cc(Cl)c(/C=N/c3ccc(C)c(C)c3)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-(3,4-dimethylphenyl)methanimine?
The InChIKey is TYMFROYPQGSUDT-CVKSISIWSA-N. The full InChI is InChI=1S/C24H31ClN2/c1-7-10-27-23-13-22(25)19(12-21(23)18(4)14-24(27,5)6)15-26-20-9-8-16(2)17(3)11-20/h8-9,11-13,15,18H,7,10,14H2,1-6H3/b26-15+.
What are the key properties of 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine?
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine has a molecular weight of 382.98 g/mol, XLogP of 7.21, 4 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-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 50863433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).