2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone

C17H20FN3O2 — CID 60501294

IUPAC2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1ccc(F)c2cccnc12
InChIInChI=1S/C17H20FN3O2/c1-20(12-16(22)21-7-9-23-10-8-21)11-13-4-5-15(18)14-3-2-6-19-17(13)14/h2-6H,7-12H2,1H3
InChIKeyUBDANYZNNAJSBA-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.66
Rot. Bonds4

About 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone

2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone (PubChem CID 60501294) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
PubChem CID60501294
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1ccc(F)c2cccnc12
InChIInChI=1S/C17H20FN3O2/c1-20(12-16(22)21-7-9-23-10-8-21)11-13-4-5-15(18)14-3-2-6-19-17(13)14/h2-6H,7-12H2,1H3
InChIKeyUBDANYZNNAJSBA-UHFFFAOYSA-N
XLogP1.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570856
2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570878
1-(azepan-1-yl)-2-[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]ethanone
CID 55680173
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 167882816
2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 8711791
2-[methyl-[(2-methyl-3-nitrophenyl)methyl]amino]-1-morpholin-4-ylethanone
CID 60501292
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9137227
2-[methyl-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 75438432
2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17441254

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone (CID 60501294) is 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1ccc(F)c2cccnc12.
What is the InChIKey of 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is UBDANYZNNAJSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20(12-16(22)21-7-9-23-10-8-21)11-13-4-5-15(18)14-3-2-6-19-17(13)14/h2-6H,7-12H2,1H3.
What are the key properties of 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 317.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 60501294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).