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

C22H26FN3O — CID 118420340

IUPAC5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc3cc(F)ccc23)cnc1OCC(C)CC(C)(C)N
InChIInChI=1S/C22H26FN3O/c1-14(11-22(3,4)24)13-27-21-15(2)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
InChIKeyQIQXLWONQSTTBD-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.89
Rot. Bonds6

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

5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420340) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420340
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc3cc(F)ccc23)cnc1OCC(C)CC(C)(C)N
InChIInChI=1S/C22H26FN3O/c1-14(11-22(3,4)24)13-27-21-15(2)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
InChIKeyQIQXLWONQSTTBD-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-[[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

(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429942
5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420069
5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118420541
(4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282104
1-[[3-(difluoromethyl)-5-(7-fluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279910
5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420103
5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118419876
(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-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
1-[[3-chloro-5-(5,7-difluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 123291908
7-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-4,6,6-trimethylheptan-1-amine
CID 163791404

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118420340) is 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccnc3cc(F)ccc23)cnc1OCC(C)CC(C)(C)N.
What is the InChIKey of 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is QIQXLWONQSTTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-14(11-22(3,4)24)13-27-21-15(2)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.
What are the key properties of 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
5-[[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 5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).