6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine

C17H21FN2O2 — CID 69468239

IUPAC6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine
SMILESCOc1cc(F)c2nccc(CCC3CCC(N)CO3)c2c1
InChIInChI=1S/C17H21FN2O2/c1-21-14-8-15-11(6-7-20-17(15)16(18)9-14)2-4-13-5-3-12(19)10-22-13/h6-9,12-13H,2-5,10,19H2,1H3
InChIKeyQDRFFTMTXZSHHT-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.82
Rot. Bonds4

About 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine

6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine (PubChem CID 69468239) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound Name6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine
PubChem CID69468239
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine
SMILESCOc1cc(F)c2nccc(CCC3CCC(N)CO3)c2c1
InChIInChI=1S/C17H21FN2O2/c1-21-14-8-15-11(6-7-20-17(15)16(18)9-14)2-4-13-5-3-12(19)10-22-13/h6-9,12-13H,2-5,10,19H2,1H3
InChIKeyQDRFFTMTXZSHHT-UHFFFAOYSA-N
XLogP2.82
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-6-methoxy-4-[2-(oxan-2-yl)ethyl]quinoline
CID 141137962
6-methoxy-4-[2-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxan-2-yl]ethyl]quinoline
CID 158688019
N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503197
4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline
CID 158901207
6-[[[6-[(8-fluoro-6-methoxyquinolin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69468930
5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
CID 144733899
N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide
CID 162655667
1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
CID 141309721
2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503167
(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine
CID 124505252
6-(methoxymethyl)oxan-3-amine;hydrochloride
CID 132585345
(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 146550272

Frequently Asked Questions

What is the IUPAC name of 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine?
The IUPAC name of 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine (CID 69468239) is 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine.
What is the SMILES notation for 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine?
The canonical SMILES for 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine is COc1cc(F)c2nccc(CCC3CCC(N)CO3)c2c1.
What is the InChIKey of 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine?
The InChIKey is QDRFFTMTXZSHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-21-14-8-15-11(6-7-20-17(15)16(18)9-14)2-4-13-5-3-12(19)10-22-13/h6-9,12-13H,2-5,10,19H2,1H3.
What are the key properties of 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine?
6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine has a molecular weight of 304.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(8-fluoro-6-methoxyquinolin-4-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 69468239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).