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

C18H15FN4O — CID 127038510

IUPAC8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
SMILESCOc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)ncn12
InChIInChI=1S/C18H15FN4O/c1-10-18-11(2)22-17-14(23(18)9-21-10)6-13(7-15(17)24-3)12-4-5-16(19)20-8-12/h4-9H,1-3H3
InChIKeyGSINRKXXCHWAGQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.71
Rot. Bonds2

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

8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline (PubChem CID 127038510) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
PubChem CID127038510
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
SMILESCOc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)ncn12
InChIInChI=1S/C18H15FN4O/c1-10-18-11(2)22-17-14(23(18)9-21-10)6-13(7-15(17)24-3)12-4-5-16(19)20-8-12/h4-9H,1-3H3
InChIKeyGSINRKXXCHWAGQ-UHFFFAOYSA-N
XLogP3.71
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The IUPAC name of 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline (CID 127038510) is 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline.
What is the SMILES notation for 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The canonical SMILES for 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline is COc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)ncn12.
What is the InChIKey of 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The InChIKey is GSINRKXXCHWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-10-18-11(2)22-17-14(23(18)9-21-10)6-13(7-15(17)24-3)12-4-5-16(19)20-8-12/h4-9H,1-3H3.
What are the key properties of 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline has a molecular weight of 322.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 127038510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).