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

C19H17FN4O — CID 42630191

IUPAC8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline
SMILESCOc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3
InChIKeyJGRMMBRYUDVUAI-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.02
Rot. Bonds2

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

8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline (PubChem CID 42630191) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline
PubChem CID42630191
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline
SMILESCOc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n12
InChIInChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3
InChIKeyJGRMMBRYUDVUAI-UHFFFAOYSA-N
XLogP4.02
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline (CID 42630191) is 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline is COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccncc3C)n12.
What is the InChIKey of 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline?
The InChIKey is JGRMMBRYUDVUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3.
What are the key properties of 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline?
8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline has a molecular weight of 336.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42630191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).