N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C20H22Cl2N2 — CID 50859166

IUPACN-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccccc3Cl)cc21
InChIInChI=1S/C20H22Cl2N2/c1-13-11-20(2,3)24(4)19-10-17(22)14(9-15(13)19)12-23-18-8-6-5-7-16(18)21/h5-10,12-13H,11H2,1-4H3/b23-12+
InChIKeyKZIVMJZZHCFFAX-FSJBWODESA-N
MW361.32 g/mol
LogP6.47
Rot. Bonds2

About N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50859166) has the molecular formula C20H22Cl2N2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50859166
Molecular FormulaC20H22Cl2N2
Molecular Weight361.32 g/mol
Exact Mass360.12
IUPAC NameN-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCC1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccccc3Cl)cc21
InChIInChI=1S/C20H22Cl2N2/c1-13-11-20(2,3)24(4)19-10-17(22)14(9-15(13)19)12-23-18-8-6-5-7-16(18)21/h5-10,12-13H,11H2,1-4H3/b23-12+
InChIKeyKZIVMJZZHCFFAX-FSJBWODESA-N
XLogP6.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.32
LogP ≤ 56.47
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

1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine
CID 50859098
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859359
N-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]hydroxylamine
CID 50859018
N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]aniline
CID 99886342
1-[4-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]ethanone
CID 50859238
2-chloro-N-[(Z)-[(4R)-7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]benzamide
CID 99886404
2-chloro-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50859089
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-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133203437
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]methanimine
CID 50859255
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-nitroaniline
CID 133203433

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50859166) is N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CC1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccccc3Cl)cc21.
What is the InChIKey of N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is KZIVMJZZHCFFAX-FSJBWODESA-N. The full InChI is InChI=1S/C20H22Cl2N2/c1-13-11-20(2,3)24(4)19-10-17(22)14(9-15(13)19)12-23-18-8-6-5-7-16(18)21/h5-10,12-13H,11H2,1-4H3/b23-12+.
What are the key properties of N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 361.32 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50859166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).