4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine

C23H25N5O2 — CID 56648951

IUPAC4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
SMILESCOc1cc(N2CCOCC2)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n12
InChIInChI=1S/C23H25N5O2/c1-14-18(6-5-7-24-14)23-26-16(3)22-15(2)25-21-19(28(22)23)12-17(13-20(21)29-4)27-8-10-30-11-9-27/h5-7,12-13H,8-11H2,1-4H3
InChIKeyHMJXSCNBHAGAML-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.71
Rot. Bonds3

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

4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine (PubChem CID 56648951) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
PubChem CID56648951
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
SMILESCOc1cc(N2CCOCC2)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n12
InChIInChI=1S/C23H25N5O2/c1-14-18(6-5-7-24-14)23-26-16(3)22-15(2)25-21-19(28(22)23)12-17(13-20(21)29-4)27-8-10-30-11-9-27/h5-7,12-13H,8-11H2,1-4H3
InChIKeyHMJXSCNBHAGAML-UHFFFAOYSA-N
XLogP3.71
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine?
The IUPAC name of 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine (CID 56648951) is 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine.
What is the SMILES notation for 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine?
The canonical SMILES for 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine is COc1cc(N2CCOCC2)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n12.
What is the InChIKey of 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine?
The InChIKey is HMJXSCNBHAGAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14-18(6-5-7-24-14)23-26-16(3)22-15(2)25-21-19(28(22)23)12-17(13-20(21)29-4)27-8-10-30-11-9-27/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine?
4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine is sourced from PubChem (CID 56648951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).