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

C22H26F2N2 — CID 50863534

IUPACN-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3ccc(F)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26F2N2/c1-5-10-26-21-12-20(24)16(11-19(21)15(2)13-22(26,3)4)14-25-18-8-6-17(23)7-9-18/h6-9,11-12,14-15H,5,10,13H2,1-4H3/b25-14+
InChIKeyVGQHHHJVCPYNHS-AFUMVMLFSA-N
MW356.46 g/mol
LogP6.22
Rot. Bonds4

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

N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50863534) has the molecular formula C22H26F2N2 and a molecular weight of 356.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50863534
Molecular FormulaC22H26F2N2
Molecular Weight356.46 g/mol
Exact Mass356.21
IUPAC NameN-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3ccc(F)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26F2N2/c1-5-10-26-21-12-20(24)16(11-19(21)15(2)13-22(26,3)4)14-25-18-8-6-17(23)7-9-18/h6-9,11-12,14-15H,5,10,13H2,1-4H3/b25-14+
InChIKeyVGQHHHJVCPYNHS-AFUMVMLFSA-N
XLogP6.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 56.22
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-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-[4-(4-methylphenoxy)phenyl]methanimine
CID 50863496
N-[4-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50863699
1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-ethylphenyl)methanimine
CID 50861559
1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine
CID 50863451
N-(2,4-dichlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863596
7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 50863540
N,N-diethyl-4-[(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 50861679
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
N-(2,4-difluorophenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50863685
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862541

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50863534) is N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is CCCN1c2cc(F)c(/C=N/c3ccc(F)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is VGQHHHJVCPYNHS-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H26F2N2/c1-5-10-26-21-12-20(24)16(11-19(21)15(2)13-22(26,3)4)14-25-18-8-6-17(23)7-9-18/h6-9,11-12,14-15H,5,10,13H2,1-4H3/b25-14+.
What are the key properties of N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 356.46 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50863534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).