2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine

C23H32N4O2 — CID 127996191

IUPAC2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
SMILESCC1CN(c2nc3ccccc3nc2N2CCC(C3CCCO3)CC2)CC(C)O1
InChIInChI=1S/C23H32N4O2/c1-16-14-27(15-17(2)29-16)23-22(24-19-6-3-4-7-20(19)25-23)26-11-9-18(10-12-26)21-8-5-13-28-21/h3-4,6-7,16-18,21H,5,8-15H2,1-2H3
InChIKeyOIVIRDVWTGLTNE-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.64
Rot. Bonds3

About 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine

2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine (PubChem CID 127996191) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
PubChem CID127996191
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
SMILESCC1CN(c2nc3ccccc3nc2N2CCC(C3CCCO3)CC2)CC(C)O1
InChIInChI=1S/C23H32N4O2/c1-16-14-27(15-17(2)29-16)23-22(24-19-6-3-4-7-20(19)25-23)26-11-9-18(10-12-26)21-8-5-13-28-21/h3-4,6-7,16-18,21H,5,8-15H2,1-2H3
InChIKeyOIVIRDVWTGLTNE-UHFFFAOYSA-N
XLogP3.64
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine (CID 127996191) is 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine is CC1CN(c2nc3ccccc3nc2N2CCC(C3CCCO3)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine?
The InChIKey is OIVIRDVWTGLTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-14-27(15-17(2)29-16)23-22(24-19-6-3-4-7-20(19)25-23)26-11-9-18(10-12-26)21-8-5-13-28-21/h3-4,6-7,16-18,21H,5,8-15H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine?
2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine has a molecular weight of 396.54 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-[4-(oxolan-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine is sourced from PubChem (CID 127996191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).