3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one

C15H19N3O2 — CID 86774553

IUPAC3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one
SMILESCC1(C)COCCN1Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-15(2)10-20-8-7-18(15)9-13-14(19)17-12-6-4-3-5-11(12)16-13/h3-6H,7-10H2,1-2H3,(H,17,19)
InChIKeyAYYXHRFAVXZHSL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.53
Rot. Bonds2

About 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one

3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one (PubChem CID 86774553) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one
PubChem CID86774553
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one
SMILESCC1(C)COCCN1Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-15(2)10-20-8-7-18(15)9-13-14(19)17-12-6-4-3-5-11(12)16-13/h3-6H,7-10H2,1-2H3,(H,17,19)
InChIKeyAYYXHRFAVXZHSL-UHFFFAOYSA-N
XLogP1.53
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
CID 104975782
3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one
CID 78963602
3-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102785485
5-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]triazole-4-carboxylic acid
CID 62053696
3-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
CID 66193670
1-[(3-oxo-4H-quinoxalin-2-yl)methyl]triazole-4-carbaldehyde
CID 66215567
1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43442128
3-[[4-(1-aminopropyl)triazol-1-yl]methyl]-1H-quinoxalin-2-one
CID 106228340
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 72915693
(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719850
4-[(3,3-dimethylmorpholin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974238

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one (CID 86774553) is 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one is CC1(C)COCCN1Cc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one?
The InChIKey is AYYXHRFAVXZHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)10-20-8-7-18(15)9-13-14(19)17-12-6-4-3-5-11(12)16-13/h3-6H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one?
3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 86774553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).