1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one

C19H23N3O3 — CID 156604643

IUPAC1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
SMILESCOC1C2CCC1CN(C(=O)Cn1c(=O)c(C)nc3ccccc31)C2
InChIInChI=1S/C19H23N3O3/c1-12-19(24)22(16-6-4-3-5-15(16)20-12)11-17(23)21-9-13-7-8-14(10-21)18(13)25-2/h3-6,13-14,18H,7-11H2,1-2H3
InChIKeyOEHQHLUFIXJJMD-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.59
Rot. Bonds3

About 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one

1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one (PubChem CID 156604643) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
PubChem CID156604643
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
SMILESCOC1C2CCC1CN(C(=O)Cn1c(=O)c(C)nc3ccccc31)C2
InChIInChI=1S/C19H23N3O3/c1-12-19(24)22(16-6-4-3-5-15(16)20-12)11-17(23)21-9-13-7-8-14(10-21)18(13)25-2/h3-6,13-14,18H,7-11H2,1-2H3
InChIKeyOEHQHLUFIXJJMD-UHFFFAOYSA-N
XLogP1.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one with MolForge

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Related Compounds

3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
CID 72913220
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 46295480
3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 46295476
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 95921163
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-[(3aS,5S,6S,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 118790261
3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
CID 72904852
methyl 2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoate
CID 77101731
methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 46507840
1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
CID 66221507

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one (CID 156604643) is 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one is COC1C2CCC1CN(C(=O)Cn1c(=O)c(C)nc3ccccc31)C2.
What is the InChIKey of 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The InChIKey is OEHQHLUFIXJJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-19(24)22(16-6-4-3-5-15(16)20-12)11-17(23)21-9-13-7-8-14(10-21)18(13)25-2/h3-6,13-14,18H,7-11H2,1-2H3.
What are the key properties of 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one?
1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one has a molecular weight of 341.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 156604643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).