3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one

C17H23N3O3 — CID 777096

IUPAC3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one
SMILESCC1(C)Nc2ccccc2N(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-17(2)16(22)20(14-6-4-3-5-13(14)18-17)8-7-15(21)19-9-11-23-12-10-19/h3-6,18H,7-12H2,1-2H3
InChIKeyLXRNLYYKXDJTQR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.47
Rot. Bonds3

About 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one

3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one (PubChem CID 777096) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one
PubChem CID777096
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one
SMILESCC1(C)Nc2ccccc2N(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-17(2)16(22)20(14-6-4-3-5-13(14)18-17)8-7-15(21)19-9-11-23-12-10-19/h3-6,18H,7-12H2,1-2H3
InChIKeyLXRNLYYKXDJTQR-UHFFFAOYSA-N
XLogP1.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one?
The IUPAC name of 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one (CID 777096) is 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one?
The canonical SMILES for 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one is CC1(C)Nc2ccccc2N(CCC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one?
The InChIKey is LXRNLYYKXDJTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2)16(22)20(14-6-4-3-5-13(14)18-17)8-7-15(21)19-9-11-23-12-10-19/h3-6,18H,7-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one?
3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-morpholin-4-yl-3-oxopropyl)-4H-quinoxalin-2-one is sourced from PubChem (CID 777096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).