6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline

C18H14F2N4 — CID 42630068

IUPAC6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
SMILESCc1ccncc1-c1nc(C)c2c(C)nc3c(F)cc(F)cc3n12
InChIInChI=1S/C18H14F2N4/c1-9-4-5-21-8-13(9)18-23-11(3)17-10(2)22-16-14(20)6-12(19)7-15(16)24(17)18/h4-8H,1-3H3
InChIKeyCGKCKVMRGPUISE-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.15
Rot. Bonds1

About 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline

6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline (PubChem CID 42630068) has the molecular formula C18H14F2N4 and a molecular weight of 324.33 g/mol. Its IUPAC name is 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
PubChem CID42630068
Molecular FormulaC18H14F2N4
Molecular Weight324.33 g/mol
Exact Mass324.12
IUPAC Name6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
SMILESCc1ccncc1-c1nc(C)c2c(C)nc3c(F)cc(F)cc3n12
InChIInChI=1S/C18H14F2N4/c1-9-4-5-21-8-13(9)18-23-11(3)17-10(2)22-16-14(20)6-12(19)7-15(16)24(17)18/h4-8H,1-3H3
InChIKeyCGKCKVMRGPUISE-UHFFFAOYSA-N
XLogP4.15
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline (CID 42630068) is 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline is Cc1ccncc1-c1nc(C)c2c(C)nc3c(F)cc(F)cc3n12.
What is the InChIKey of 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline?
The InChIKey is CGKCKVMRGPUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4/c1-9-4-5-21-8-13(9)18-23-11(3)17-10(2)22-16-14(20)6-12(19)7-15(16)24(17)18/h4-8H,1-3H3.
What are the key properties of 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline?
6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline has a molecular weight of 324.33 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42630068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).