1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone

C24H25FN4O2 — CID 58547887

IUPAC1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(F)cnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C24H25FN4O2/c1-16(30)28-10-8-17(9-11-28)21-12-19(25)13-26-24(21)31-20-14-29(15-20)23-7-6-18-4-2-3-5-22(18)27-23/h2-7,12-13,17,20H,8-11,14-15H2,1H3
InChIKeyCKGSTLMHWLCQCX-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.76
Rot. Bonds4

About 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone

1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 58547887) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID58547887
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(F)cnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C24H25FN4O2/c1-16(30)28-10-8-17(9-11-28)21-12-19(25)13-26-24(21)31-20-14-29(15-20)23-7-6-18-4-2-3-5-22(18)27-23/h2-7,12-13,17,20H,8-11,14-15H2,1H3
InChIKeyCKGSTLMHWLCQCX-UHFFFAOYSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
1-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-5-yl]piperidin-1-yl]ethanone
CID 54596145
acetyl chloride;2-[3-(6-chloro-4-cyclohexylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;2-[3-(6-chloro-5-piperidin-4-ylpyridazin-3-yl)oxyazetidin-1-yl]quinoline;1-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyridazin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 158515343
methyl 1-[5-bromo-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidine-4-carboxylate
CID 58547916
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
CID 58547692
2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline
CID 171702682
1H-benzimidazol-2-yl-[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]methanone
CID 58548552
2-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]propan-2-ol
CID 58548141
2-[4-(2-fluorophenyl)piperidin-1-yl]quinoline
CID 174513092
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one
CID 58547710
1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548087

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone (CID 58547887) is 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(F)cnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is CKGSTLMHWLCQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16(30)28-10-8-17(9-11-28)21-12-19(25)13-26-24(21)31-20-14-29(15-20)23-7-6-18-4-2-3-5-22(18)27-23/h2-7,12-13,17,20H,8-11,14-15H2,1H3.
What are the key properties of 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 420.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-fluoro-2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58547887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).