4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one

C14H14Cl2N4O — CID 167888729

IUPAC4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C14H14Cl2N4O/c1-2-12-14(21)17-3-4-20(12)13-7-18-10-5-8(15)9(16)6-11(10)19-13/h5-7,12H,2-4H2,1H3,(H,17,21)
InChIKeyFHHYPJSFDKOGDU-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.65
Rot. Bonds2

About 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one

4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one (PubChem CID 167888729) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
PubChem CID167888729
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C14H14Cl2N4O/c1-2-12-14(21)17-3-4-20(12)13-7-18-10-5-8(15)9(16)6-11(10)19-13/h5-7,12H,2-4H2,1H3,(H,17,21)
InChIKeyFHHYPJSFDKOGDU-UHFFFAOYSA-N
XLogP2.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one (CID 167888729) is 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1cnc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one?
The InChIKey is FHHYPJSFDKOGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-2-12-14(21)17-3-4-20(12)13-7-18-10-5-8(15)9(16)6-11(10)19-13/h5-7,12H,2-4H2,1H3,(H,17,21).
What are the key properties of 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one?
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one has a molecular weight of 325.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 167888729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).