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

C20H19N3O — CID 23879424

IUPACphenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H19N3O/c24-20(17-7-2-1-3-8-17)23-14-12-22(13-15-23)19-11-10-16-6-4-5-9-18(16)21-19/h1-11H,12-15H2
InChIKeyFXDXOOSPSRFLMC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.20
Rot. Bonds2

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

phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone (PubChem CID 23879424) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
PubChem CID23879424
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Namephenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H19N3O/c24-20(17-7-2-1-3-8-17)23-14-12-22(13-15-23)19-11-10-16-6-4-5-9-18(16)21-19/h1-11H,12-15H2
InChIKeyFXDXOOSPSRFLMC-UHFFFAOYSA-N
XLogP3.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 3030200
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
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
pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741613
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 108809070
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone (CID 23879424) is phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone is O=C(c1ccccc1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FXDXOOSPSRFLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(17-7-2-1-3-8-17)23-14-12-22(13-15-23)19-11-10-16-6-4-5-9-18(16)21-19/h1-11H,12-15H2.
What are the key properties of phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 23879424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).