6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione

C12H8Cl2N4O2 — CID 10733779

IUPAC6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Cn3cccn3)c2[nH]c1=O
InChIInChI=1S/C12H8Cl2N4O2/c13-7-4-8-10(17-12(20)11(19)16-8)6(9(7)14)5-18-3-1-2-15-18/h1-4H,5H2,(H,16,19)(H,17,20)
InChIKeyJPWQHENAVOURAJ-UHFFFAOYSA-N
MW311.13 g/mol
LogP1.77
Rot. Bonds2

About 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione

6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10733779) has the molecular formula C12H8Cl2N4O2 and a molecular weight of 311.13 g/mol. Its IUPAC name is 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10733779
Molecular FormulaC12H8Cl2N4O2
Molecular Weight311.13 g/mol
Exact Mass310.00
IUPAC Name6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(Cl)c(Cl)c(Cn3cccn3)c2[nH]c1=O
InChIInChI=1S/C12H8Cl2N4O2/c13-7-4-8-10(17-12(20)11(19)16-8)6(9(7)14)5-18-3-1-2-15-18/h1-4H,5H2,(H,16,19)(H,17,20)
InChIKeyJPWQHENAVOURAJ-UHFFFAOYSA-N
XLogP1.77
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-Dichloro-5-[1-(triazol-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 10640850
6,7-Dichloro-5-(triazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10733850
6,7-Dichloro-5-(pyridin-2-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10687263
6,7-Dichloro-5-[[4-[(4-methylpiperazin-1-yl)methyl]triazol-1-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 10764775
6,7-Dichloro-5-[[4-(diethylaminomethyl)triazol-1-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 10844290
6,7-Dichloro-5-[1-[4-[(4-methylpiperazin-1-yl)methyl]triazol-1-yl]propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 139251850
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
CID 25666429
2-(4-aminopyrazol-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 43445335
2-(4-aminopyrazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 43445462
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]acetamide
CID 56482203
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 60501720
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrazol-1-ylacetamide
CID 110690000

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 10733779) is 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(Cl)c(Cl)c(Cn3cccn3)c2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is JPWQHENAVOURAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O2/c13-7-4-8-10(17-12(20)11(19)16-8)6(9(7)14)5-18-3-1-2-15-18/h1-4H,5H2,(H,16,19)(H,17,20).
What are the key properties of 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 311.13 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-(pyrazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10733779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).