3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one

C18H23N3O3 — CID 94181113

IUPAC3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
SMILESO=c1c(N2CCOCC2)nc2ccccc2n1C[C@@H]1CCCCO1
InChIInChI=1S/C18H23N3O3/c22-18-17(20-8-11-23-12-9-20)19-15-6-1-2-7-16(15)21(18)13-14-5-3-4-10-24-14/h1-2,6-7,14H,3-5,8-13H2/t14-/m0/s1
InChIKeyMDTMDBSOAGUOJJ-AWEZNQCLSA-N
MW329.40 g/mol
LogP1.80
Rot. Bonds3

About 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one

3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one (PubChem CID 94181113) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
PubChem CID94181113
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
SMILESO=c1c(N2CCOCC2)nc2ccccc2n1C[C@@H]1CCCCO1
InChIInChI=1S/C18H23N3O3/c22-18-17(20-8-11-23-12-9-20)19-15-6-1-2-7-16(15)21(18)13-14-5-3-4-10-24-14/h1-2,6-7,14H,3-5,8-13H2/t14-/m0/s1
InChIKeyMDTMDBSOAGUOJJ-AWEZNQCLSA-N
XLogP1.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
CID 97196072
N-cyclohexyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951544
2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178972
2-(morpholin-4-ylmethyl)-3-[[(2R)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178973
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702
N-ethyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951590
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53062578
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 91951582
(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 41417966
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-pyridin-4-ylpropanamide
CID 91951572

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one?
The IUPAC name of 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one (CID 94181113) is 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one.
What is the SMILES notation for 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one?
The canonical SMILES for 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one is O=c1c(N2CCOCC2)nc2ccccc2n1C[C@@H]1CCCCO1.
What is the InChIKey of 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one?
The InChIKey is MDTMDBSOAGUOJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-18-17(20-8-11-23-12-9-20)19-15-6-1-2-7-16(15)21(18)13-14-5-3-4-10-24-14/h1-2,6-7,14H,3-5,8-13H2/t14-/m0/s1.
What are the key properties of 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one?
3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one is sourced from PubChem (CID 94181113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).