7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one

C12H11ClN4O — CID 115289464

IUPAC7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCn1cc(C2Nc3ccc(Cl)cc3NC2=O)cn1
InChIInChI=1S/C12H11ClN4O/c1-17-6-7(5-14-17)11-12(18)16-10-4-8(13)2-3-9(10)15-11/h2-6,11,15H,1H3,(H,16,18)
InChIKeyUSEJLNOKPHIUDB-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.18
Rot. Bonds1

About 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one

7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 115289464) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID115289464
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCn1cc(C2Nc3ccc(Cl)cc3NC2=O)cn1
InChIInChI=1S/C12H11ClN4O/c1-17-6-7(5-14-17)11-12(18)16-10-4-8(13)2-3-9(10)15-11/h2-6,11,15H,1H3,(H,16,18)
InChIKeyUSEJLNOKPHIUDB-UHFFFAOYSA-N
XLogP2.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113316496
6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289471
7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline
CID 113316504
8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113279731
2-(1-methylpyrazol-4-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720318
2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
CID 103964991
7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290502
5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
CID 103571674
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
(3Z)-5-chloro-3-[(1-methylpyrazol-4-yl)methylidene]-1H-indol-2-one
CID 17404110
(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 154640215
7-fluoro-6-methyl-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 103594416

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one (CID 115289464) is 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one is Cn1cc(C2Nc3ccc(Cl)cc3NC2=O)cn1.
What is the InChIKey of 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is USEJLNOKPHIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-17-6-7(5-14-17)11-12(18)16-10-4-8(13)2-3-9(10)15-11/h2-6,11,15H,1H3,(H,16,18).
What are the key properties of 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 262.70 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 115289464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).