N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine

C21H21Cl2FN2 — CID 50867579

IUPACN-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2cc(F)c(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C
InChIInChI=1S/C21H21Cl2FN2/c1-5-26-20-10-18(24)14(8-16(20)13(2)11-21(26,3)4)12-25-19-7-6-15(22)9-17(19)23/h6-12H,5H2,1-4H3/b25-12+
InChIKeyXBHFZVQHLOLHOF-BRJLIKDPSA-N
MW391.32 g/mol
LogP6.90
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine

N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine (PubChem CID 50867579) has the molecular formula C21H21Cl2FN2 and a molecular weight of 391.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
PubChem CID50867579
Molecular FormulaC21H21Cl2FN2
Molecular Weight391.32 g/mol
Exact Mass390.11
IUPAC NameN-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
SMILESCCN1c2cc(F)c(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C
InChIInChI=1S/C21H21Cl2FN2/c1-5-26-20-10-18(24)14(8-16(20)13(2)11-21(26,3)4)12-25-19-7-6-15(22)9-17(19)23/h6-12H,5H2,1-4H3/b25-12+
InChIKeyXBHFZVQHLOLHOF-BRJLIKDPSA-N
XLogP6.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 56.90
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-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol
CID 50867273
N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine
CID 50867471
3-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-methylbenzoic acid
CID 50867555
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869612
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50867062
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869663
4-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50867552
(Z)-2-(2,4-dichlorophenyl)-3-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)prop-2-enenitrile
CID 50867497

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine (CID 50867579) is N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine is CCN1c2cc(F)c(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine?
The InChIKey is XBHFZVQHLOLHOF-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H21Cl2FN2/c1-5-26-20-10-18(24)14(8-16(20)13(2)11-21(26,3)4)12-25-19-7-6-15(22)9-17(19)23/h6-12H,5H2,1-4H3/b25-12+.
What are the key properties of N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine?
N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine has a molecular weight of 391.32 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine is sourced from PubChem (CID 50867579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).