N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine

C22H25Cl2FN2 — CID 50863596

IUPACN-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C22H25Cl2FN2/c1-5-8-27-21-11-19(25)15(9-17(21)14(2)12-22(27,3)4)13-26-20-7-6-16(23)10-18(20)24/h6-7,9-11,13-14H,5,8,12H2,1-4H3/b26-13+
InChIKeyRTDJJNXWKFSRLA-LGJNPRDNSA-N
MW407.36 g/mol
LogP7.39
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine

N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50863596) has the molecular formula C22H25Cl2FN2 and a molecular weight of 407.36 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50863596
Molecular FormulaC22H25Cl2FN2
Molecular Weight407.36 g/mol
Exact Mass406.14
IUPAC NameN-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)CC1(C)C
InChIInChI=1S/C22H25Cl2FN2/c1-5-8-27-21-11-19(25)15(9-17(21)14(2)12-22(27,3)4)13-26-20-7-6-16(23)10-18(20)24/h6-7,9-11,13-14H,5,8,12H2,1-4H3/b26-13+
InChIKeyRTDJJNXWKFSRLA-LGJNPRDNSA-N
XLogP7.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.36
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine with MolForge

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Related Compounds

1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine
CID 50863464
N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863534
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-phenylphenyl)methanimine
CID 50863707
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine
CID 50863451
7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 50863540
3-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50863444
N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863409
N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50863699
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
CID 50863496
N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863685
1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50862972
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50861420

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50863596) is N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is CCCN1c2cc(F)c(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)CC1(C)C.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is RTDJJNXWKFSRLA-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H25Cl2FN2/c1-5-8-27-21-11-19(25)15(9-17(21)14(2)12-22(27,3)4)13-26-20-7-6-16(23)10-18(20)24/h6-7,9-11,13-14H,5,8,12H2,1-4H3/b26-13+.
What are the key properties of N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 407.36 g/mol, XLogP of 7.39, 4 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-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50863596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).