4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one

C14H17N3O3 — CID 126783324

IUPAC4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CCC(O)C2)c2ccccc2N1
InChIInChI=1S/C14H17N3O3/c18-10-5-6-16(7-10)9-14(20)17-8-13(19)15-11-3-1-2-4-12(11)17/h1-4,10,18H,5-9H2,(H,15,19)
InChIKeyLQPBDISTQIFOAV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.04
Rot. Bonds2

About 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 126783324) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID126783324
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CCC(O)C2)c2ccccc2N1
InChIInChI=1S/C14H17N3O3/c18-10-5-6-16(7-10)9-14(20)17-8-13(19)15-11-3-1-2-4-12(11)17/h1-4,10,18H,5-9H2,(H,15,19)
InChIKeyLQPBDISTQIFOAV-UHFFFAOYSA-N
XLogP0.04
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8898891
4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 110162145
4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9377928
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 41447992
4-[2-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 93242478
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
(3S,4S)-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120953703
4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 126777694
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 126783324) is 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CN2CCC(O)C2)c2ccccc2N1.
What is the InChIKey of 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is LQPBDISTQIFOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-10-5-6-16(7-10)9-14(20)17-8-13(19)15-11-3-1-2-4-12(11)17/h1-4,10,18H,5-9H2,(H,15,19).
What are the key properties of 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 126783324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).