1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one

C22H23N3O4 — CID 97275219

IUPAC1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESCOc1cccc([C@@H]2CCN(C(=O)Cn3c(=O)cnc4ccccc43)C2)c1OC
InChIInChI=1S/C22H23N3O4/c1-28-19-9-5-6-16(22(19)29-2)15-10-11-24(13-15)21(27)14-25-18-8-4-3-7-17(18)23-12-20(25)26/h3-9,12,15H,10-11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyFQYMFDJOQHSFME-OAHLLOKOSA-N
MW393.44 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one

1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one (PubChem CID 97275219) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
PubChem CID97275219
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESCOc1cccc([C@@H]2CCN(C(=O)Cn3c(=O)cnc4ccccc43)C2)c1OC
InChIInChI=1S/C22H23N3O4/c1-28-19-9-5-6-16(22(19)29-2)15-10-11-24(13-15)21(27)14-25-18-8-4-3-7-17(18)23-12-20(25)26/h3-9,12,15H,10-11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyFQYMFDJOQHSFME-OAHLLOKOSA-N
XLogP2.43
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one with MolForge

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Related Compounds

1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
2-(2,4-difluorophenoxy)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 72912911
1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]quinoxalin-2-one
CID 17425744
7-[2-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171387457
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 56816771
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 94637166
1-[2-(2-oxoquinoxalin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462621
1-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 97131804
1-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]quinoxalin-2-one
CID 56819209
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one (CID 97275219) is 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one is COc1cccc([C@@H]2CCN(C(=O)Cn3c(=O)cnc4ccccc43)C2)c1OC.
What is the InChIKey of 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The InChIKey is FQYMFDJOQHSFME-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-19-9-5-6-16(22(19)29-2)15-10-11-24(13-15)21(27)14-25-18-8-4-3-7-17(18)23-12-20(25)26/h3-9,12,15H,10-11,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one?
1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one has a molecular weight of 393.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one is sourced from PubChem (CID 97275219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).