6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine

C18H23F2N3O2 — CID 133386527

IUPAC6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine
SMILESCc1cc(NC(C)C2CN(C)CCO2)c2cc(OC(F)F)ccc2n1
InChIInChI=1S/C18H23F2N3O2/c1-11-8-16(22-12(2)17-10-23(3)6-7-24-17)14-9-13(25-18(19)20)4-5-15(14)21-11/h4-5,8-9,12,17-18H,6-7,10H2,1-3H3,(H,21,22)
InChIKeyCHUHWWILCYLUEL-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.28
Rot. Bonds5

About 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine

6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine (PubChem CID 133386527) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine
PubChem CID133386527
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine
SMILESCc1cc(NC(C)C2CN(C)CCO2)c2cc(OC(F)F)ccc2n1
InChIInChI=1S/C18H23F2N3O2/c1-11-8-16(22-12(2)17-10-23(3)6-7-24-17)14-9-13(25-18(19)20)4-5-15(14)21-11/h4-5,8-9,12,17-18H,6-7,10H2,1-3H3,(H,21,22)
InChIKeyCHUHWWILCYLUEL-UHFFFAOYSA-N
XLogP3.28
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine?
The IUPAC name of 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine (CID 133386527) is 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine is Cc1cc(NC(C)C2CN(C)CCO2)c2cc(OC(F)F)ccc2n1.
What is the InChIKey of 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine?
The InChIKey is CHUHWWILCYLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-11-8-16(22-12(2)17-10-23(3)6-7-24-17)14-9-13(25-18(19)20)4-5-15(14)21-11/h4-5,8-9,12,17-18H,6-7,10H2,1-3H3,(H,21,22).
What are the key properties of 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine?
6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine has a molecular weight of 351.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 133386527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).