6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine

C18H20F2N2O2 — CID 133390442

IUPAC6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCCC2=CCOCC2)c2cc(OC(F)F)ccc2n1
InChIInChI=1S/C18H20F2N2O2/c1-12-10-17(21-7-4-13-5-8-23-9-6-13)15-11-14(24-18(19)20)2-3-16(15)22-12/h2-3,5,10-11,18H,4,6-9H2,1H3,(H,21,22)
InChIKeyAKTQYOBURRMEMV-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.29
Rot. Bonds6

About 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine

6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine (PubChem CID 133390442) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine
PubChem CID133390442
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine
SMILESCc1cc(NCCC2=CCOCC2)c2cc(OC(F)F)ccc2n1
InChIInChI=1S/C18H20F2N2O2/c1-12-10-17(21-7-4-13-5-8-23-9-6-13)15-11-14(24-18(19)20)2-3-16(15)22-12/h2-3,5,10-11,18H,4,6-9H2,1H3,(H,21,22)
InChIKeyAKTQYOBURRMEMV-UHFFFAOYSA-N
XLogP4.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethoxy)-N-ethyl-2-propylquinolin-4-amine
CID 63481314
4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
CID 107846198
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methylquinolin-4-amine
CID 110432981
6-(difluoromethoxy)-2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]quinolin-4-amine
CID 133386527
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133462019
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
CID 166363531
2-[(6-chloro-2-methylquinolin-4-yl)amino]ethanol
CID 155175469
N-ethyl-2-methyl-6-propoxyquinolin-4-amine
CID 55060024
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 169487817
6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine
CID 133394297

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine?
The IUPAC name of 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine (CID 133390442) is 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine.
What is the SMILES notation for 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine?
The canonical SMILES for 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine is Cc1cc(NCCC2=CCOCC2)c2cc(OC(F)F)ccc2n1.
What is the InChIKey of 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine?
The InChIKey is AKTQYOBURRMEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12-10-17(21-7-4-13-5-8-23-9-6-13)15-11-14(24-18(19)20)2-3-16(15)22-12/h2-3,5,10-11,18H,4,6-9H2,1H3,(H,21,22).
What are the key properties of 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine?
6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine has a molecular weight of 334.37 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 133390442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).