6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline

C19H17FN4O — CID 42630073

IUPAC6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
SMILESCOc1cc(F)c2nc(C)c3c(C)nc(-c4cccnc4C)n3c2c1
InChIInChI=1S/C19H17FN4O/c1-10-14(6-5-7-21-10)19-23-12(3)18-11(2)22-17-15(20)8-13(25-4)9-16(17)24(18)19/h5-9H,1-4H3
InChIKeyMLJILDFMLRVIKN-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.02
Rot. Bonds2

About 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline

6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline (PubChem CID 42630073) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
PubChem CID42630073
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
SMILESCOc1cc(F)c2nc(C)c3c(C)nc(-c4cccnc4C)n3c2c1
InChIInChI=1S/C19H17FN4O/c1-10-14(6-5-7-21-10)19-23-12(3)18-11(2)22-17-15(20)8-13(25-4)9-16(17)24(18)19/h5-9H,1-4H3
InChIKeyMLJILDFMLRVIKN-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 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline (CID 42630073) is 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline is COc1cc(F)c2nc(C)c3c(C)nc(-c4cccnc4C)n3c2c1.
What is the InChIKey of 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline?
The InChIKey is MLJILDFMLRVIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-10-14(6-5-7-21-10)19-23-12(3)18-11(2)22-17-15(20)8-13(25-4)9-16(17)24(18)19/h5-9H,1-4H3.
What are the key properties of 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline?
6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-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 6-fluoro-8-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42630073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).