5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C22H26FN3O — CID 118420103

IUPAC5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nc(-c2ccnc3ccc(F)cc23)ccc1OCC(C)CC(C)(C)N
InChIInChI=1S/C22H26FN3O/c1-14(12-22(3,4)24)13-27-21-8-7-20(26-15(21)2)17-9-10-25-19-6-5-16(23)11-18(17)19/h5-11,14H,12-13,24H2,1-4H3
InChIKeyPXLGGJRBBDDKAJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.89
Rot. Bonds6

About 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420103) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420103
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nc(-c2ccnc3ccc(F)cc23)ccc1OCC(C)CC(C)(C)N
InChIInChI=1S/C22H26FN3O/c1-14(12-22(3,4)24)13-27-21-8-7-20(26-15(21)2)17-9-10-25-19-6-5-16(23)11-18(17)19/h5-11,14H,12-13,24H2,1-4H3
InChIKeyPXLGGJRBBDDKAJ-UHFFFAOYSA-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 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-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

5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118419876
5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118420541
5-[[4-chloro-6-(6-chloroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420173
5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420340
4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
CID 144940024
(2S)-2,4-dimethyl-1-[(2-methyl-6-quinolin-4-yl-3-pyridinyl)oxy]pentan-2-amine
CID 118429691
5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118420316
(2S)-1-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420069
5-[2-chloro-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]-2,4-dimethylpentan-2-amine
CID 135282767
2-methyl-1-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]propan-2-amine
CID 135284444
(2S)-1-[[6-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429797

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118420103) is 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1nc(-c2ccnc3ccc(F)cc23)ccc1OCC(C)CC(C)(C)N.
What is the InChIKey of 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is PXLGGJRBBDDKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-14(12-22(3,4)24)13-27-21-8-7-20(26-15(21)2)17-9-10-25-19-6-5-16(23)11-18(17)19/h5-11,14H,12-13,24H2,1-4H3.
What are the key properties of 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-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 5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).