1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone

C17H20FN3O2 — CID 56813387

IUPAC1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C17H20FN3O2/c1-23-12-16(22)21-7-5-20(6-8-21)11-14-10-15(18)9-13-3-2-4-19-17(13)14/h2-4,9-10H,5-8,11-12H2,1H3
InChIKeyNCOAFIFFJOKPHG-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.66
Rot. Bonds4

About 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 56813387) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID56813387
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C17H20FN3O2/c1-23-12-16(22)21-7-5-20(6-8-21)11-14-10-15(18)9-13-3-2-4-19-17(13)14/h2-4,9-10H,5-8,11-12H2,1H3
InChIKeyNCOAFIFFJOKPHG-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

[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 33216209
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55507622
1-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone
CID 84593093
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
methyl 2-[(2S)-4-[(6-fluoroquinolin-8-yl)methyl]morpholin-2-yl]acetate
CID 96999157
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
8-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
CID 46405422
8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline
CID 86868224
N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
CID 55841391
1-[(6-fluoroquinolin-8-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351327
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648296
1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923455

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone (CID 56813387) is 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(Cc2cc(F)cc3cccnc23)CC1.
What is the InChIKey of 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is NCOAFIFFJOKPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-12-16(22)21-7-5-20(6-8-21)11-14-10-15(18)9-13-3-2-4-19-17(13)14/h2-4,9-10H,5-8,11-12H2,1H3.
What are the key properties of 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone 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 1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 56813387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).