N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

C22H24ClFN2 — CID 50869612

IUPACN-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3cccc(Cl)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24ClFN2/c1-5-9-26-21-12-20(24)16(10-19(21)15(2)13-22(26,3)4)14-25-18-8-6-7-17(23)11-18/h6-8,10-14H,5,9H2,1-4H3/b25-14+
InChIKeyBCUFWCKZNMDJPR-AFUMVMLFSA-N
MW370.90 g/mol
LogP6.64
Rot. Bonds4

About N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50869612) has the molecular formula C22H24ClFN2 and a molecular weight of 370.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50869612
Molecular FormulaC22H24ClFN2
Molecular Weight370.90 g/mol
Exact Mass370.16
IUPAC NameN-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(F)c(/C=N/c3cccc(Cl)c3)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24ClFN2/c1-5-9-26-21-12-20(24)16(10-19(21)15(2)13-22(26,3)4)14-25-18-8-6-7-17(23)11-18/h6-8,10-14H,5,9H2,1-4H3/b25-14+
InChIKeyBCUFWCKZNMDJPR-AFUMVMLFSA-N
XLogP6.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.90
LogP ≤ 56.64
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-(2-fluorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869663
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
2-(3-chlorophenoxy)-N-[(E)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50869490
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-phenylmethanimine
CID 50865430
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
N-(3,4-dichlorophenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865569
N-(4-fluoro-3-methylphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865604
N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867579
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(3-chloro-4-methoxyphenyl)-1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865263
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (CID 50869612) is N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is CCCN1c2cc(F)c(/C=N/c3cccc(Cl)c3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is BCUFWCKZNMDJPR-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H24ClFN2/c1-5-9-26-21-12-20(24)16(10-19(21)15(2)13-22(26,3)4)14-25-18-8-6-7-17(23)11-18/h6-8,10-14H,5,9H2,1-4H3/b25-14+.
What are the key properties of N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 370.90 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50869612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).