(2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C22H25F2N3O — CID 118429935

IUPAC(2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ncc(-c2ccnc3ccccc23)cc1C(F)F
InChIInChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1
InChIKeyVZSXUICSTBAKTM-QFIPXVFZSA-N
MW385.46 g/mol
LogP5.38
Rot. Bonds7

About (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429935) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429935
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ncc(-c2ccnc3ccccc23)cc1C(F)F
InChIInChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1
InChIKeyVZSXUICSTBAKTM-QFIPXVFZSA-N
XLogP5.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

Pilavapadin
CID 118419773
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
US10155760, Example 74
CID 91938067
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
US10155760, Example 50
CID 118429668
US10155760, Example 35
CID 118429827
(1R,3R)-1-[6-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]-3-pyridinyl]-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121411115

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429935) is (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is CC(C)C[C@](C)(N)COc1ncc(-c2ccnc3ccccc23)cc1C(F)F.
What is the InChIKey of (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is VZSXUICSTBAKTM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-14(2)11-22(3,25)13-28-21-18(20(23)24)10-15(12-27-21)16-8-9-26-19-7-5-4-6-17(16)19/h4-10,12,14,20H,11,13,25H2,1-3H3/t22-/m0/s1.
What are the key properties of (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 385.46 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).