N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine

C22H27ClN2 — CID 50862687

IUPACN-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCN1c2ccc(/C=N/c3ccccc3Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C22H27ClN2/c1-5-12-25-21-11-10-17(13-18(21)16(2)14-22(25,3)4)15-24-20-9-7-6-8-19(20)23/h6-11,13,15-16H,5,12,14H2,1-4H3/b24-15+
InChIKeyXKQYFLDWXWKZRG-BUVRLJJBSA-N
MW354.93 g/mol
LogP6.59
Rot. Bonds4

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

N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50862687) has the molecular formula C22H27ClN2 and a molecular weight of 354.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50862687
Molecular FormulaC22H27ClN2
Molecular Weight354.93 g/mol
Exact Mass354.19
IUPAC NameN-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCN1c2ccc(/C=N/c3ccccc3Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C22H27ClN2/c1-5-12-25-21-11-10-17(13-18(21)16(2)14-22(25,3)4)15-24-20-9-7-6-8-19(20)23/h6-11,13,15-16H,5,12,14H2,1-4H3/b24-15+
InChIKeyXKQYFLDWXWKZRG-BUVRLJJBSA-N
XLogP6.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.93
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862633
N-(4-bromo-3-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862634
N-(3-fluorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862370
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-(3-chlorophenoxy)phenyl]-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862266
1-phenyl-3-[(E)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50862117
N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863596
N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860675
N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859166
N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858602
N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine
CID 124832377

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50862687) is N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is CCCN1c2ccc(/C=N/c3ccccc3Cl)cc2C(C)CC1(C)C.
What is the InChIKey of N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is XKQYFLDWXWKZRG-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H27ClN2/c1-5-12-25-21-11-10-17(13-18(21)16(2)14-22(25,3)4)15-24-20-9-7-6-8-19(20)23/h6-11,13,15-16H,5,12,14H2,1-4H3/b24-15+.
What are the key properties of N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 354.93 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50862687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).