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

C18H17N5O — CID 108741613

IUPACpyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnccn1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H17N5O/c24-18(16-13-19-7-8-20-16)23-11-9-22(10-12-23)17-6-5-14-3-1-2-4-15(14)21-17/h1-8,13H,9-12H2
InChIKeyWQBJTVPAPWRTAG-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.99
Rot. Bonds2

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

pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone (PubChem CID 108741613) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
PubChem CID108741613
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Namepyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnccn1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H17N5O/c24-18(16-13-19-7-8-20-16)23-11-9-22(10-12-23)17-6-5-14-3-1-2-4-15(14)21-17/h1-8,13H,9-12H2
InChIKeyWQBJTVPAPWRTAG-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 3030200
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
pyrazin-2-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 138381419
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
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
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone (CID 108741613) is pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is O=C(c1cnccn1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WQBJTVPAPWRTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(16-13-19-7-8-20-16)23-11-9-22(10-12-23)17-6-5-14-3-1-2-4-15(14)21-17/h1-8,13H,9-12H2.
What are the key properties of pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone?
pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone has a molecular weight of 319.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108741613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).