8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline

C18H14BrFN4O — CID 127038167

IUPAC8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
SMILESCOc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n12
InChIInChI=1S/C18H14BrFN4O/c1-9-17-10(2)23-18(11-4-5-15(20)21-8-11)24(17)13-6-12(19)7-14(25-3)16(13)22-9/h4-8H,1-3H3
InChIKeyPZAJISDCIZCGIB-UHFFFAOYSA-N
MW401.24 g/mol
LogP4.47
Rot. Bonds2

About 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline

8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline (PubChem CID 127038167) has the molecular formula C18H14BrFN4O and a molecular weight of 401.24 g/mol. Its IUPAC name is 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
PubChem CID127038167
Molecular FormulaC18H14BrFN4O
Molecular Weight401.24 g/mol
Exact Mass400.03
IUPAC Name8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
SMILESCOc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n12
InChIInChI=1S/C18H14BrFN4O/c1-9-17-10(2)23-18(11-4-5-15(20)21-8-11)24(17)13-6-12(19)7-14(25-3)16(13)22-9/h4-8H,1-3H3
InChIKeyPZAJISDCIZCGIB-UHFFFAOYSA-N
XLogP4.47
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline with MolForge

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Related Compounds

1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038868
8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
8-fluoro-6-methoxy-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630190
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626
2-fluoro-5-methoxy-4-methylpyridine
CID 74891147
(1R)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951244
(1S)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951245
5-(12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)-N,N-dimethylpyridin-2-amine
CID 68917633
6-bromo-4-methoxy-1,3-dimethylindole
CID 154728785
(6-bromo-8-methoxyquinazolin-2-yl)methanol
CID 156873044
7-bromo-5-methoxy-3-methyl-1H-quinoxalin-2-one
CID 71295705
6-bromo-8-methoxy-4-methylquinazolin-2-amine
CID 135197532

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The IUPAC name of 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline (CID 127038167) is 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline.
What is the SMILES notation for 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The canonical SMILES for 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline is COc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n12.
What is the InChIKey of 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The InChIKey is PZAJISDCIZCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN4O/c1-9-17-10(2)23-18(11-4-5-15(20)21-8-11)24(17)13-6-12(19)7-14(25-3)16(13)22-9/h4-8H,1-3H3.
What are the key properties of 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline has a molecular weight of 401.24 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 127038167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).