3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one

C14H9N5O2 — CID 14493371

IUPAC3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cnc2cc[nH]n2c1=O
InChIInChI=1S/C14H9N5O2/c20-13-12(17-9-3-1-2-4-10(9)18-13)8-7-15-11-5-6-16-19(11)14(8)21/h1-7,16H,(H,18,20)
InChIKeyNCLHLPKHIWLXCV-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.93
Rot. Bonds1

About 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one

3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one (PubChem CID 14493371) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one
PubChem CID14493371
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cnc2cc[nH]n2c1=O
InChIInChI=1S/C14H9N5O2/c20-13-12(17-9-3-1-2-4-10(9)18-13)8-7-15-11-5-6-16-19(11)14(8)21/h1-7,16H,(H,18,20)
InChIKeyNCLHLPKHIWLXCV-UHFFFAOYSA-N
XLogP0.93
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
CID 14739100
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
CID 137079359
3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
CID 135585445
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
3-phosphorosooxy-1H-quinoxalin-2-one
CID 57453617
3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 11500889
3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one
CID 2276415
2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]-N-propan-2-ylacetamide
CID 3481617
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]ethanesulfonamide
CID 3163417
N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 7187743

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one (CID 14493371) is 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1cnc2cc[nH]n2c1=O.
What is the InChIKey of 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one?
The InChIKey is NCLHLPKHIWLXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-13-12(17-9-3-1-2-4-10(9)18-13)8-7-15-11-5-6-16-19(11)14(8)21/h1-7,16H,(H,18,20).
What are the key properties of 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one?
3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one has a molecular weight of 279.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 14493371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).