N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C21H24ClFN2 — CID 50859791

IUPACN-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1ccc(Cl)cc1/N=C/c1cc2c(cc1F)N(C)C(C)(C)CC2C
InChIInChI=1S/C21H24ClFN2/c1-13-6-7-16(22)9-19(13)24-12-15-8-17-14(2)11-21(3,4)25(5)20(17)10-18(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+
InChIKeyXDOALULDBRWJLU-WYMPLXKRSA-N
MW358.89 g/mol
LogP6.26
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50859791) has the molecular formula C21H24ClFN2 and a molecular weight of 358.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50859791
Molecular FormulaC21H24ClFN2
Molecular Weight358.89 g/mol
Exact Mass358.16
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCc1ccc(Cl)cc1/N=C/c1cc2c(cc1F)N(C)C(C)(C)CC2C
InChIInChI=1S/C21H24ClFN2/c1-13-6-7-16(22)9-19(13)24-12-15-8-17-14(2)11-21(3,4)25(5)20(17)10-18(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+
InChIKeyXDOALULDBRWJLU-WYMPLXKRSA-N
XLogP6.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine with MolForge

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Related Compounds

[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-isobutyl-amine
CID 44298601
[1-(4-Chloro-benzyl)-6-trifluoromethyl-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 10250802
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-(1,5-dimethyl-hexyl)-amine
CID 44298618
7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine
CID 46864289
N-(4-benzylphenyl)-7-chloro-1-ethyl-quinolin-4-imine
CID 71683114
7-chloro-N-(4-phenylphenyl)-1-[3-(1-piperidyl)propyl]quinolin-4-imine
CID 72703064
7-chloro-1-[3-(1-piperidyl)propyl]-N-(p-tolyl)quinolin-4-imine
CID 72703267
7-chloro-N-(4-fluorophenyl)-1-[3-(1-piperidyl)propyl]quinolin-4-imine
CID 72703268
3-[(4E)-7-chloro-4-(4-phenylphenyl)imino-1-quinolyl]-N,N-diethyl-propan-1-amine
CID 72703695
4-[(4E)-7-chloro-4-(4-phenylphenyl)imino-1-quinolyl]-N,N-diethyl-butan-1-amine
CID 72703696
3-Fluorobenzaldehyde (e)-(7-chloro-1-methyl-4(1h)-quinolinylidene)hydrazone
CID 129840815
1-(5-chloro-2-methylphenyl)-4-[[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]piperazine
CID 130470947

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50859791) is N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is Cc1ccc(Cl)cc1/N=C/c1cc2c(cc1F)N(C)C(C)(C)CC2C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is XDOALULDBRWJLU-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H24ClFN2/c1-13-6-7-16(22)9-19(13)24-12-15-8-17-14(2)11-21(3,4)25(5)20(17)10-18(15)23/h6-10,12,14H,11H2,1-5H3/b24-12+.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 358.89 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50859791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).