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

C22H26ClIN2 — CID 50861198

IUPAC1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3ccc(I)c(C)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26ClIN2/c1-6-26-21-11-19(23)16(10-18(21)15(3)12-22(26,4)5)13-25-17-7-8-20(24)14(2)9-17/h7-11,13,15H,6,12H2,1-5H3/b25-13+
InChIKeyKIIXHQXJHRJWTE-DHRITJCHSA-N
MW480.82 g/mol
LogP7.12
Rot. Bonds3

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

1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine (PubChem CID 50861198) has the molecular formula C22H26ClIN2 and a molecular weight of 480.82 g/mol. Its IUPAC name is 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine
PubChem CID50861198
Molecular FormulaC22H26ClIN2
Molecular Weight480.82 g/mol
Exact Mass480.08
IUPAC Name1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3ccc(I)c(C)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26ClIN2/c1-6-26-21-11-19(23)16(10-18(21)15(3)12-22(26,4)5)13-25-17-7-8-20(24)14(2)9-17/h7-11,13,15H,6,12H2,1-5H3/b25-13+
InChIKeyKIIXHQXJHRJWTE-DHRITJCHSA-N
XLogP7.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.82
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-methylphenyl)methanimine
CID 50861116
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-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3,4-dimethylphenyl)methanimine
CID 50863433
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860626
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 50861157
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine
CID 50861005
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50861420
1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine
CID 99865763
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50862972
1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine
CID 124631427
N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860708

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine?
The IUPAC name of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine (CID 50861198) is 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine is CCN1c2cc(Cl)c(/C=N/c3ccc(I)c(C)c3)cc2C(C)CC1(C)C.
What is the InChIKey of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine?
The InChIKey is KIIXHQXJHRJWTE-DHRITJCHSA-N. The full InChI is InChI=1S/C22H26ClIN2/c1-6-26-21-11-19(23)16(10-18(21)15(3)12-22(26,4)5)13-25-17-7-8-20(24)14(2)9-17/h7-11,13,15H,6,12H2,1-5H3/b25-13+.
What are the key properties of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine?
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine has a molecular weight of 480.82 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-iodo-3-methylphenyl)methanimine is sourced from PubChem (CID 50861198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).