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

C18H21N3O — CID 171691592

IUPACcyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCC1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H21N3O/c22-18(15-5-3-6-15)21-12-10-20(11-13-21)17-9-8-14-4-1-2-7-16(14)19-17/h1-2,4,7-9,15H,3,5-6,10-13H2
InChIKeyUGERDHKOLMQWRL-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.68
Rot. Bonds2

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

cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone (PubChem CID 171691592) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
PubChem CID171691592
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Namecyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCC1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H21N3O/c22-18(15-5-3-6-15)21-12-10-20(11-13-21)17-9-8-14-4-1-2-7-16(14)19-17/h1-2,4,7-9,15H,3,5-6,10-13H2
InChIKeyUGERDHKOLMQWRL-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 167768729
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 172889285
morpholin-4-yl-(1-quinolin-2-ylazetidin-3-yl)methanone
CID 163353117
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone (CID 171691592) is cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone is O=C(C1CCC1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UGERDHKOLMQWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(15-5-3-6-15)21-12-10-20(11-13-21)17-9-8-14-4-1-2-7-16(14)19-17/h1-2,4,7-9,15H,3,5-6,10-13H2.
What are the key properties of cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 171691592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).