6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one

C12H10Cl2N4O — CID 115289471

IUPAC6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCn1cc(C2Nc3cc(Cl)c(Cl)cc3NC2=O)cn1
InChIInChI=1S/C12H10Cl2N4O/c1-18-5-6(4-15-18)11-12(19)17-10-3-8(14)7(13)2-9(10)16-11/h2-5,11,16H,1H3,(H,17,19)
InChIKeyQQWAXBPCSCUHBI-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.83
Rot. Bonds1

About 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one

6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 115289471) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID115289471
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCn1cc(C2Nc3cc(Cl)c(Cl)cc3NC2=O)cn1
InChIInChI=1S/C12H10Cl2N4O/c1-18-5-6(4-15-18)11-12(19)17-10-3-8(14)7(13)2-9(10)16-11/h2-5,11,16H,1H3,(H,17,19)
InChIKeyQQWAXBPCSCUHBI-UHFFFAOYSA-N
XLogP2.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289464
6-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113316496
8-fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113279731
2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
CID 103964991
2-(1-methylpyrazol-4-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720318
5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
CID 103571674
7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline
CID 113316504
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
2-(1-methylpyrazol-4-yl)oxolane-3-carbaldehyde
CID 130815204
7,8-dichloro-3-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232155
4-cyclopentyl-1-methylpyrazole;propane-2,2-diol
CID 167462179
(5R,6S)-5-[(3-bromo-4-chlorophenyl)methylamino]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 154797040

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one (CID 115289471) is 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one is Cn1cc(C2Nc3cc(Cl)c(Cl)cc3NC2=O)cn1.
What is the InChIKey of 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is QQWAXBPCSCUHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c1-18-5-6(4-15-18)11-12(19)17-10-3-8(14)7(13)2-9(10)16-11/h2-5,11,16H,1H3,(H,17,19).
What are the key properties of 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one?
6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 297.15 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 115289471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).