1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine

C22H24ClFN2O — CID 118420041

IUPAC1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1c(F)cc(-c2ccnc3ccccc23)cc1Cl
InChIInChI=1S/C22H24ClFN2O/c1-14(2)12-22(3,25)13-27-21-18(23)10-15(11-19(21)24)16-8-9-26-20-7-5-4-6-17(16)20/h4-11,14H,12-13,25H2,1-3H3
InChIKeyJQZOBLFDUVUUGF-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.84
Rot. Bonds6

About 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine

1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine (PubChem CID 118420041) has the molecular formula C22H24ClFN2O and a molecular weight of 386.90 g/mol. Its IUPAC name is 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
PubChem CID118420041
Molecular FormulaC22H24ClFN2O
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC Name1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1c(F)cc(-c2ccnc3ccccc23)cc1Cl
InChIInChI=1S/C22H24ClFN2O/c1-14(2)12-22(3,25)13-27-21-18(23)10-15(11-19(21)24)16-8-9-26-20-7-5-4-6-17(16)20/h4-11,14H,12-13,25H2,1-3H3
InChIKeyJQZOBLFDUVUUGF-UHFFFAOYSA-N
XLogP5.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine 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

4-(3-Chloro-4-methoxy-benzylamino)-8-ethyl-quinoline-6-carbonitrile
CID 22601583
US10155760, Example 74
CID 91938067
US10155760, Example 204
CID 118429935
8-[3-(2-Chlorophenoxy)propoxy]quinoline
CID 2283001
4-Chloro-7-(3-phenylpropoxy)quinoline
CID 78324295
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine
CID 118364939
US10155760, Example 116
CID 118419826
US10155760, Example 223
CID 118419831
US10155760, Example 131
CID 118419835
US10155760, Example 197
CID 118419900
US10155760, Example 235
CID 118419901
US10155760, Example 241
CID 118419907

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine (CID 118420041) is 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine is CC(C)CC(C)(N)COc1c(F)cc(-c2ccnc3ccccc23)cc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The InChIKey is JQZOBLFDUVUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O/c1-14(2)12-22(3,25)13-27-21-18(23)10-15(11-19(21)24)16-8-9-26-20-7-5-4-6-17(16)20/h4-11,14H,12-13,25H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine has a molecular weight of 386.90 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).