1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C21H22ClF2N3O — CID 123291908

IUPAC1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ncc(-c2ccnc3cc(F)cc(F)c23)cc1Cl
InChIInChI=1S/C21H22ClF2N3O/c1-12(2)9-21(3,25)11-28-20-16(22)6-13(10-27-20)15-4-5-26-18-8-14(23)7-17(24)19(15)18/h4-8,10,12H,9,11,25H2,1-3H3
InChIKeyBTDNQMGJQOYVOY-UHFFFAOYSA-N
MW405.88 g/mol
LogP5.37
Rot. Bonds6

About 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 123291908) has the molecular formula C21H22ClF2N3O and a molecular weight of 405.88 g/mol. Its IUPAC name is 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID123291908
Molecular FormulaC21H22ClF2N3O
Molecular Weight405.88 g/mol
Exact Mass405.14
IUPAC Name1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ncc(-c2ccnc3cc(F)cc(F)c23)cc1Cl
InChIInChI=1S/C21H22ClF2N3O/c1-12(2)9-21(3,25)11-28-20-16(22)6-13(10-27-20)15-4-5-26-18-8-14(23)7-17(24)19(15)18/h4-8,10,12H,9,11,25H2,1-3H3
InChIKeyBTDNQMGJQOYVOY-UHFFFAOYSA-N
XLogP5.37
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-(2-amino-2,4-dimethylpentoxy)-5-(5,7-difluoroquinolin-4-yl)pyridine-3-carbonitrile
CID 123977827
1-[[3-(difluoromethyl)-5-(7-fluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279910
(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429942
(2R)-1-[[5-(7-chloroquinolin-4-yl)-3-(difluoromethyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279919
[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
(2S)-1-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
4-(5-chloro-6-fluoro-3-pyridinyl)-6-methylpyrimidine;(2S)-1-[[3-chloro-5-(6-methylpyrimidin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 158113481
(2S)-1-[(4-chloro-6-quinolin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118429910
5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420340
(2R)-1-[[6-(2-chloro-3-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429442

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 123291908) is 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is CC(C)CC(C)(N)COc1ncc(-c2ccnc3cc(F)cc(F)c23)cc1Cl.
What is the InChIKey of 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is BTDNQMGJQOYVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF2N3O/c1-12(2)9-21(3,25)11-28-20-16(22)6-13(10-27-20)15-4-5-26-18-8-14(23)7-17(24)19(15)18/h4-8,10,12H,9,11,25H2,1-3H3.
What are the key properties of 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 405.88 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 123291908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).