3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one

C23H27N3O2 — CID 118084923

IUPAC3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
SMILESCC(=O)c1nc2ccccc2n(C2C[C@H]3CC[C@@H](C2)N3C2C=CCCC2)c1=O
InChIInChI=1S/C23H27N3O2/c1-15(27)22-23(28)26(21-10-6-5-9-20(21)24-22)19-13-17-11-12-18(14-19)25(17)16-7-3-2-4-8-16/h3,5-7,9-10,16-19H,2,4,8,11-14H2,1H3/t16?,17-,18+,19?
InChIKeyCGADBKNBJDBURT-FXSDRFNOSA-N
MW377.49 g/mol
LogP3.88
Rot. Bonds3

About 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one

3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one (PubChem CID 118084923) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one.

Molecular Properties

Compound Name3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
PubChem CID118084923
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
SMILESCC(=O)c1nc2ccccc2n(C2C[C@H]3CC[C@@H](C2)N3C2C=CCCC2)c1=O
InChIInChI=1S/C23H27N3O2/c1-15(27)22-23(28)26(21-10-6-5-9-20(21)24-22)19-13-17-11-12-18(14-19)25(17)16-7-3-2-4-8-16/h3,5-7,9-10,16-19H,2,4,8,11-14H2,1H3/t16?,17-,18+,19?
InChIKeyCGADBKNBJDBURT-FXSDRFNOSA-N
XLogP3.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[(1R,5S)-8-[(2Z)-cyclooct-2-en-1-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 59450922
ethyl 4-[(1R,5S)-8-[(2Z)-cyclooct-2-en-1-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate;ethyl 1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3,4-dihydroquinoline-3-carboxylate;ethyl 4-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate;molecular hydrogen;palladium;dihydrate
CID 158597692
ethyl 4-(9-cyclononyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxoquinoxaline-2-carboxylate
CID 66819528
ethyl 3-oxo-4-[(1R,5S)-8-(4-prop-1-en-2-ylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoxaline-2-carboxylate
CID 146239001
ethyl 4-[4-(9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxoquinoxalin-2-yl]-4-oxobutanoate
CID 123542648
ethyl 2-[[4-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carbonyl]-methylamino]acetate
CID 59451257
ethyl 4-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 134250841
3-(4-acetylpiperidin-1-yl)-1-[(1R,5S)-8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
CID 118919113
2-chloro-1-cyclohex-2-en-1-ylbenzimidazole
CID 122210350
2-[1-[4-[(1R,5S)-8-[(1S,6R)-8-bicyclo[4.3.1]decanyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxalin-2-yl]ethylideneamino]oxyacetic acid
CID 123153333
2-[(E)-1-[4-[(1R,5S)-9-(3-bicyclo[3.3.1]nonanyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxalin-2-yl]ethylideneamino]oxyacetic acid
CID 118097844
methyl 2-[[4-(8-cyclooctyl-8-azabicyclo[3.2.1]octan-3-yl)-3-oxoquinoxaline-2-carbonyl]amino]propanoate
CID 66819187

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one?
The IUPAC name of 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one (CID 118084923) is 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one.
What is the SMILES notation for 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one?
The canonical SMILES for 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one is CC(=O)c1nc2ccccc2n(C2C[C@H]3CC[C@@H](C2)N3C2C=CCCC2)c1=O.
What is the InChIKey of 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one?
The InChIKey is CGADBKNBJDBURT-FXSDRFNOSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(27)22-23(28)26(21-10-6-5-9-20(21)24-22)19-13-17-11-12-18(14-19)25(17)16-7-3-2-4-8-16/h3,5-7,9-10,16-19H,2,4,8,11-14H2,1H3/t16?,17-,18+,19?.
What are the key properties of 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one?
3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one is sourced from PubChem (CID 118084923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).