4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine

C16H21N3O2 — CID 59874503

IUPAC4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine
SMILESCOc1nc2cc(C)c(CN3CCOCC3)cc2nc1C
InChIInChI=1S/C16H21N3O2/c1-11-8-14-15(17-12(2)16(18-14)20-3)9-13(11)10-19-4-6-21-7-5-19/h8-9H,4-7,10H2,1-3H3
InChIKeyXMSNKABNYWHZSE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds3

About 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine

4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine (PubChem CID 59874503) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine
PubChem CID59874503
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine
SMILESCOc1nc2cc(C)c(CN3CCOCC3)cc2nc1C
InChIInChI=1S/C16H21N3O2/c1-11-8-14-15(17-12(2)16(18-14)20-3)9-13(11)10-19-4-6-21-7-5-19/h8-9H,4-7,10H2,1-3H3
InChIKeyXMSNKABNYWHZSE-UHFFFAOYSA-N
XLogP2.09
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine?
The IUPAC name of 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine (CID 59874503) is 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine is COc1nc2cc(C)c(CN3CCOCC3)cc2nc1C.
What is the InChIKey of 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine?
The InChIKey is XMSNKABNYWHZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-8-14-15(17-12(2)16(18-14)20-3)9-13(11)10-19-4-6-21-7-5-19/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine?
4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine has a molecular weight of 287.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-3,7-dimethylquinoxalin-6-yl)methyl]morpholine is sourced from PubChem (CID 59874503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).