(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C22H26FN3O — CID 118429942

IUPAC(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc3cc(F)ccc23)cnc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C22H26FN3O/c1-14(2)11-22(4,24)13-27-21-15(3)9-16(12-26-21)18-7-8-25-20-10-17(23)5-6-19(18)20/h5-10,12,14H,11,13,24H2,1-4H3/t22-/m0/s1
InChIKeyKGGRQHXUHUQTBJ-QFIPXVFZSA-N
MW367.47 g/mol
LogP4.89
Rot. Bonds6

About (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429942) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429942
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc3cc(F)ccc23)cnc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C22H26FN3O/c1-14(2)11-22(4,24)13-27-21-15(3)9-16(12-26-21)18-7-8-25-20-10-17(23)5-6-19(18)20/h5-10,12,14H,11,13,24H2,1-4H3/t22-/m0/s1
InChIKeyKGGRQHXUHUQTBJ-QFIPXVFZSA-N
XLogP4.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[[3-(difluoromethyl)-5-(7-fluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279910
5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420340
(2R)-1-[[5-(7-chloroquinolin-4-yl)-3-(difluoromethyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279919
1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 123291908
(2S)-1-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
2-(2-amino-2,4-dimethylpentoxy)-5-(5,7-difluoroquinolin-4-yl)pyridine-3-carbonitrile
CID 123977827
2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine
CID 135390512
(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 145286374
[1-[[5-(5,7-difluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420420
(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702
1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 134285449
5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420069

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429942) is (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccnc3cc(F)ccc23)cnc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is KGGRQHXUHUQTBJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-14(2)11-22(4,24)13-27-21-15(3)9-16(12-26-21)18-7-8-25-20-10-17(23)5-6-19(18)20/h5-10,12,14H,11,13,24H2,1-4H3/t22-/m0/s1.
What are the key properties of (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 367.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).