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

C23H27F2N3O — CID 118420069

IUPAC5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1ccc2c(-c3cnc(OCC(C)CC(C)(C)N)c(C(F)F)c3)ccnc2c1
InChIInChI=1S/C23H27F2N3O/c1-14-5-6-18-17(7-8-27-20(18)9-14)16-10-19(21(24)25)22(28-12-16)29-13-15(2)11-23(3,4)26/h5-10,12,15,21H,11,13,26H2,1-4H3
InChIKeyTVWHSIVUOHFRGG-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.69
Rot. Bonds7

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

5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420069) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420069
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC Name5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1ccc2c(-c3cnc(OCC(C)CC(C)(C)N)c(C(F)F)c3)ccnc2c1
InChIInChI=1S/C23H27F2N3O/c1-14-5-6-18-17(7-8-27-20(18)9-14)16-10-19(21(24)25)22(28-12-16)29-13-15(2)11-23(3,4)26/h5-10,12,15,21H,11,13,26H2,1-4H3
InChIKeyTVWHSIVUOHFRGG-UHFFFAOYSA-N
XLogP5.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420340
1-[[3-(difluoromethyl)-5-(7-fluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279910
(2R)-1-[[5-(7-chloroquinolin-4-yl)-3-(difluoromethyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279919
5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118419876
7-[[3-(difluoromethyl)-5-quinolin-4-yl-2-pyridinyl]oxy]-4,6,6-trimethylheptan-1-amine
CID 163791404
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
(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429942
5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420103
5-(2-chloro-4-pyridinyl)-3-(difluoromethyl)-2-[(2S)-2,4-dimethylpentoxy]pyridine
CID 151683369
5-[[4-chloro-6-(6-chloroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420173
4-(furan-3-yl)-7-methylquinoline
CID 23370177

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118420069) is 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1ccc2c(-c3cnc(OCC(C)CC(C)(C)N)c(C(F)F)c3)ccnc2c1.
What is the InChIKey of 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is TVWHSIVUOHFRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c1-14-5-6-18-17(7-8-27-20(18)9-14)16-10-19(21(24)25)22(28-12-16)29-13-15(2)11-23(3,4)26/h5-10,12,15,21H,11,13,26H2,1-4H3.
What are the key properties of 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 399.49 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).