8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one

C12H11FN4O — CID 113279731

IUPAC8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCn1cc(C2Nc3cccc(F)c3NC2=O)cn1
InChIInChI=1S/C12H11FN4O/c1-17-6-7(5-14-17)10-12(18)16-11-8(13)3-2-4-9(11)15-10/h2-6,10,15H,1H3,(H,16,18)
InChIKeyULPWQEHQSNFGSM-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.66
Rot. Bonds1

About 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one

8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 113279731) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID113279731
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCn1cc(C2Nc3cccc(F)c3NC2=O)cn1
InChIInChI=1S/C12H11FN4O/c1-17-6-7(5-14-17)10-12(18)16-11-8(13)3-2-4-9(11)15-10/h2-6,10,15H,1H3,(H,16,18)
InChIKeyULPWQEHQSNFGSM-UHFFFAOYSA-N
XLogP1.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720318
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CID 113316496
7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289464
6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289471
2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
CID 103964991
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
CID 103571674
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
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(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 95241931
7-fluoro-6-methyl-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 103594416
6-fluoro-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 83818424
2-chloro-3-fluoro-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one (CID 113279731) is 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one is Cn1cc(C2Nc3cccc(F)c3NC2=O)cn1.
What is the InChIKey of 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is ULPWQEHQSNFGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-17-6-7(5-14-17)10-12(18)16-11-8(13)3-2-4-9(11)15-10/h2-6,10,15H,1H3,(H,16,18).
What are the key properties of 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 246.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 113279731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).