oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone

C18H21N3O2 — CID 108741501

IUPACoxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(16-6-3-13-23-16)21-11-9-20(10-12-21)17-8-7-14-4-1-2-5-15(14)19-17/h1-2,4-5,7-8,16H,3,6,9-13H2
InChIKeyWTUDWIIROHWBGK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.06
Rot. Bonds2

About oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone

oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone (PubChem CID 108741501) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
PubChem CID108741501
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Nameoxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(16-6-3-13-23-16)21-11-9-20(10-12-21)17-8-7-14-4-1-2-5-15(14)19-17/h1-2,4-5,7-8,16H,3,6,9-13H2
InChIKeyWTUDWIIROHWBGK-UHFFFAOYSA-N
XLogP2.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95242996
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 163352851
6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 93068578

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone (CID 108741501) is oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is O=C(C1CCCO1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WTUDWIIROHWBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(16-6-3-13-23-16)21-11-9-20(10-12-21)17-8-7-14-4-1-2-5-15(14)19-17/h1-2,4-5,7-8,16H,3,6,9-13H2.
What are the key properties of oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108741501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).