1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one

C17H18N6O2 — CID 120949700

IUPAC1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C17H18N6O2/c24-16-10-18-14-5-1-2-6-15(14)23(16)12-17(25)22-8-3-4-13(22)11-21-9-7-19-20-21/h1-2,5-7,9-10,13H,3-4,8,11-12H2/t13-/m0/s1
InChIKeyTXIXYXQRLWUFPG-ZDUSSCGKSA-N
MW338.37 g/mol
LogP0.68
Rot. Bonds4

About 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one

1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one (PubChem CID 120949700) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
PubChem CID120949700
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C17H18N6O2/c24-16-10-18-14-5-1-2-6-15(14)23(16)12-17(25)22-8-3-4-13(22)11-21-9-7-19-20-21/h1-2,5-7,9-10,13H,3-4,8,11-12H2/t13-/m0/s1
InChIKeyTXIXYXQRLWUFPG-ZDUSSCGKSA-N
XLogP0.68
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one with MolForge

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Related Compounds

1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 94637166
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-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
CID 115348314
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 56816771
2-naphthalen-1-yloxy-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120949565
2-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 120949600
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586
1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949540
2-chloro-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 154846667
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-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one (CID 120949700) is 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one is O=C(Cn1c(=O)cnc2ccccc21)N1CCC[C@H]1Cn1ccnn1.
What is the InChIKey of 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one?
The InChIKey is TXIXYXQRLWUFPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16-10-18-14-5-1-2-6-15(14)23(16)12-17(25)22-8-3-4-13(22)11-21-9-7-19-20-21/h1-2,5-7,9-10,13H,3-4,8,11-12H2/t13-/m0/s1.
What are the key properties of 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one?
1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one has a molecular weight of 338.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one is sourced from PubChem (CID 120949700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).