1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one

C17H19N3O3 — CID 56819209

IUPAC1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCOC2CCCC21
InChIInChI=1S/C17H19N3O3/c21-16-10-18-12-4-1-2-5-13(12)20(16)11-17(22)19-8-9-23-15-7-3-6-14(15)19/h1-2,4-5,10,14-15H,3,6-9,11H2
InChIKeyKFDOGBXTFHSLQG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.18
Rot. Bonds2

About 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one

1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one (PubChem CID 56819209) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one
PubChem CID56819209
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCOC2CCCC21
InChIInChI=1S/C17H19N3O3/c21-16-10-18-12-4-1-2-5-13(12)20(16)11-17(22)19-8-9-23-15-7-3-6-14(15)19/h1-2,4-5,10,14-15H,3,6-9,11H2
InChIKeyKFDOGBXTFHSLQG-UHFFFAOYSA-N
XLogP1.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 94637166
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 56816771
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
CID 120949700
1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one
CID 72919012
1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 124740313
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815
1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 32529717
4-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 94799599
1-[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]cinnolin-4-one
CID 94643325
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(1-methylindol-3-yl)ethanone
CID 129370161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one (CID 56819209) is 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one is O=C(Cn1c(=O)cnc2ccccc21)N1CCOC2CCCC21.
What is the InChIKey of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one?
The InChIKey is KFDOGBXTFHSLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16-10-18-12-4-1-2-5-13(12)20(16)11-17(22)19-8-9-23-15-7-3-6-14(15)19/h1-2,4-5,10,14-15H,3,6-9,11H2.
What are the key properties of 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one?
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one has a molecular weight of 313.36 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one is sourced from PubChem (CID 56819209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).