4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one

C18H21N5O2 — CID 92612938

IUPAC4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CCC[C@H]2Cn2cccn2)c2ccccc2N1
InChIInChI=1S/C18H21N5O2/c24-17-12-23(16-7-2-1-6-15(16)20-17)18(25)13-21-9-3-5-14(21)11-22-10-4-8-19-22/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,20,24)/t14-/m0/s1
InChIKeyWSJUCWWOZOZPFO-AWEZNQCLSA-N
MW339.40 g/mol
LogP1.33
Rot. Bonds4

About 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 92612938) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID92612938
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CCC[C@H]2Cn2cccn2)c2ccccc2N1
InChIInChI=1S/C18H21N5O2/c24-17-12-23(16-7-2-1-6-15(16)20-17)18(25)13-21-9-3-5-14(21)11-22-10-4-8-19-22/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,20,24)/t14-/m0/s1
InChIKeyWSJUCWWOZOZPFO-AWEZNQCLSA-N
XLogP1.33
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 46980921
4-[2-[(2R)-2-benzylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 32745687
4-[2-(2-benzylpyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783225
N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 47015502
4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9440117
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95344571
4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783324
4-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 84909068
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
4-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9440102
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione;hydrochloride
CID 119633446
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 92612938) is 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CN2CCC[C@H]2Cn2cccn2)c2ccccc2N1.
What is the InChIKey of 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is WSJUCWWOZOZPFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-12-23(16-7-2-1-6-15(16)20-17)18(25)13-21-9-3-5-14(21)11-22-10-4-8-19-22/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H,20,24)/t14-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 92612938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).