1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride

C19H20ClN5O2 — CID 120730643

IUPAC1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride
SMILESCl.O=C(Cn1ncc(=O)c2ccccc21)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19N5O2.ClH/c25-18-12-22-24(16-6-2-1-5-15(16)18)13-19(26)23-9-8-21-11-17(23)14-4-3-7-20-10-14;/h1-7,10,12,17,21H,8-9,11,13H2;1H
InChIKeyOAHSLMYEYLHMCW-UHFFFAOYSA-N
MW385.86 g/mol
LogP1.39
Rot. Bonds3

About 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride

1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride (PubChem CID 120730643) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride.

Molecular Properties

Compound Name1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride
PubChem CID120730643
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride
SMILESCl.O=C(Cn1ncc(=O)c2ccccc21)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H19N5O2.ClH/c25-18-12-22-24(16-6-2-1-5-15(16)18)13-19(26)23-9-8-21-11-17(23)14-4-3-7-20-10-14;/h1-7,10,12,17,21H,8-9,11,13H2;1H
InChIKeyOAHSLMYEYLHMCW-UHFFFAOYSA-N
XLogP1.39
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride 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

3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
3-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 120731146
1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
CID 120731988
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
1-(2-pyridin-3-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 120729581
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
CID 120730453
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride?
The IUPAC name of 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride (CID 120730643) is 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride.
What is the SMILES notation for 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride?
The canonical SMILES for 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride is Cl.O=C(Cn1ncc(=O)c2ccccc21)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride?
The InChIKey is OAHSLMYEYLHMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2.ClH/c25-18-12-22-24(16-6-2-1-5-15(16)18)13-19(26)23-9-8-21-11-17(23)14-4-3-7-20-10-14;/h1-7,10,12,17,21H,8-9,11,13H2;1H.
What are the key properties of 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride?
1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride has a molecular weight of 385.86 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride is sourced from PubChem (CID 120730643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).