1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride

C16H24ClN5O — CID 54583691

IUPAC1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride
SMILESCN(C)CCn1c(=O)c(N2CCNCC2)nc2ccccc21.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-19(2)11-12-21-14-6-4-3-5-13(14)18-15(16(21)22)20-9-7-17-8-10-20;/h3-6,17H,7-12H2,1-2H3;1H
InChIKeyKZSRHQMQVMZTPS-UHFFFAOYSA-N
MW337.86 g/mol
LogP0.79
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride

1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride (PubChem CID 54583691) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride
PubChem CID54583691
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride
SMILESCN(C)CCn1c(=O)c(N2CCNCC2)nc2ccccc21.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-19(2)11-12-21-14-6-4-3-5-13(14)18-15(16(21)22)20-9-7-17-8-10-20;/h3-6,17H,7-12H2,1-2H3;1H
InChIKeyKZSRHQMQVMZTPS-UHFFFAOYSA-N
XLogP0.79
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride (CID 54583691) is 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride is CN(C)CCn1c(=O)c(N2CCNCC2)nc2ccccc21.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride?
The InChIKey is KZSRHQMQVMZTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.ClH/c1-19(2)11-12-21-14-6-4-3-5-13(14)18-15(16(21)22)20-9-7-17-8-10-20;/h3-6,17H,7-12H2,1-2H3;1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride?
1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride has a molecular weight of 337.86 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-piperazin-1-ylquinoxalin-2-one;hydrochloride is sourced from PubChem (CID 54583691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).