8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline

C14H12Cl2FN5 — CID 88906287

IUPAC8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline
SMILESFc1cc2nc(N3CCN(Cl)CC3)c3nccn3c2cc1Cl
InChIInChI=1S/C14H12Cl2FN5/c15-9-7-12-11(8-10(9)17)19-14(13-18-1-2-22(12)13)20-3-5-21(16)6-4-20/h1-2,7-8H,3-6H2
InChIKeyGGGPBODHRWNKRB-UHFFFAOYSA-N
MW340.19 g/mol
LogP2.95
Rot. Bonds1

About 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline

8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline (PubChem CID 88906287) has the molecular formula C14H12Cl2FN5 and a molecular weight of 340.19 g/mol. Its IUPAC name is 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline
PubChem CID88906287
Molecular FormulaC14H12Cl2FN5
Molecular Weight340.19 g/mol
Exact Mass339.05
IUPAC Name8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline
SMILESFc1cc2nc(N3CCN(Cl)CC3)c3nccn3c2cc1Cl
InChIInChI=1S/C14H12Cl2FN5/c15-9-7-12-11(8-10(9)17)19-14(13-18-1-2-22(12)13)20-3-5-21(16)6-4-20/h1-2,7-8H,3-6H2
InChIKeyGGGPBODHRWNKRB-UHFFFAOYSA-N
XLogP2.95
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline?
The IUPAC name of 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline (CID 88906287) is 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline.
What is the SMILES notation for 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline?
The canonical SMILES for 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline is Fc1cc2nc(N3CCN(Cl)CC3)c3nccn3c2cc1Cl.
What is the InChIKey of 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline?
The InChIKey is GGGPBODHRWNKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN5/c15-9-7-12-11(8-10(9)17)19-14(13-18-1-2-22(12)13)20-3-5-21(16)6-4-20/h1-2,7-8H,3-6H2.
What are the key properties of 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline?
8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline has a molecular weight of 340.19 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline is sourced from PubChem (CID 88906287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).