N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

C22H24F2N2 — CID 50869663

IUPACN-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3ccccc3F)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24F2N2/c1-5-10-26-21-12-19(24)16(11-17(21)15(2)13-22(26,3)4)14-25-20-9-7-6-8-18(20)23/h6-9,11-14H,5,10H2,1-4H3/b25-14+
InChIKeyCUCODSIBFQUJII-AFUMVMLFSA-N
MW354.44 g/mol
LogP6.13
Rot. Bonds4

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

N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50869663) has the molecular formula C22H24F2N2 and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50869663
Molecular FormulaC22H24F2N2
Molecular Weight354.44 g/mol
Exact Mass354.19
IUPAC NameN-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3ccccc3F)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24F2N2/c1-5-10-26-21-12-19(24)16(11-17(21)15(2)13-22(26,3)4)14-25-20-9-7-6-8-18(20)23/h6-9,11-14H,5,10H2,1-4H3/b25-14+
InChIKeyCUCODSIBFQUJII-AFUMVMLFSA-N
XLogP6.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869612
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-(2-ethoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865423
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867579
2-methyl-3-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50869023
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50869439
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865430
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50869212
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-(2-fluorophenyl)-1-(1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50864337

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (CID 50869663) is N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is CCCN1c2cc(F)c(/C=N/c3ccccc3F)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is CUCODSIBFQUJII-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H24F2N2/c1-5-10-26-21-12-19(24)16(11-17(21)15(2)13-22(26,3)4)14-25-20-9-7-6-8-18(20)23/h6-9,11-14H,5,10H2,1-4H3/b25-14+.
What are the key properties of N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 354.44 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50869663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).