8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline

C18H13Cl2N3 — CID 42629954

IUPAC8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline
SMILESCc1nc(-c2ccccc2Cl)n2c1c(C)nc1ccc(Cl)cc12
InChIInChI=1S/C18H13Cl2N3/c1-10-17-11(2)22-18(13-5-3-4-6-14(13)20)23(17)16-9-12(19)7-8-15(16)21-10/h3-9H,1-2H3
InChIKeyNHWSASLNVLUXAZ-UHFFFAOYSA-N
MW342.23 g/mol
LogP5.47
Rot. Bonds1

About 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline

8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline (PubChem CID 42629954) has the molecular formula C18H13Cl2N3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline
PubChem CID42629954
Molecular FormulaC18H13Cl2N3
Molecular Weight342.23 g/mol
Exact Mass341.05
IUPAC Name8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline
SMILESCc1nc(-c2ccccc2Cl)n2c1c(C)nc1ccc(Cl)cc12
InChIInChI=1S/C18H13Cl2N3/c1-10-17-11(2)22-18(13-5-3-4-6-14(13)20)23(17)16-9-12(19)7-8-15(16)21-10/h3-9H,1-2H3
InChIKeyNHWSASLNVLUXAZ-UHFFFAOYSA-N
XLogP5.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.23
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline?
The IUPAC name of 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline (CID 42629954) is 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline.
What is the SMILES notation for 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline?
The canonical SMILES for 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline is Cc1nc(-c2ccccc2Cl)n2c1c(C)nc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline?
The InChIKey is NHWSASLNVLUXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3/c1-10-17-11(2)22-18(13-5-3-4-6-14(13)20)23(17)16-9-12(19)7-8-15(16)21-10/h3-9H,1-2H3.
What are the key properties of 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline?
8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline has a molecular weight of 342.23 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42629954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).