6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline

C15H9ClN4 — CID 18999853

IUPAC6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESClc1cccc(-c2cnc3cc4[nH]ncc4cc3n2)c1
InChIInChI=1S/C15H9ClN4/c16-11-3-1-2-9(4-11)15-8-17-13-6-12-10(7-18-20-12)5-14(13)19-15/h1-8H,(H,18,20)
InChIKeyAGFJPZFWNPPCEU-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.83
Rot. Bonds1

About 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline

6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 18999853) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID18999853
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESClc1cccc(-c2cnc3cc4[nH]ncc4cc3n2)c1
InChIInChI=1S/C15H9ClN4/c16-11-3-1-2-9(4-11)15-8-17-13-6-12-10(7-18-20-12)5-14(13)19-15/h1-8H,(H,18,20)
InChIKeyAGFJPZFWNPPCEU-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146020619
N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
5-(1-(3-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166250
6-((1H-pyrazol-3-yl)methylamino)-4-(3-chloro-4-fluorophenylamino)quinoline-3-carbonitrile
CID 44420104
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
N-(2-(5-chloro-2-fluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155516730
1-(1H-indazol-6-yl)-6-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]benzotriazole
CID 155517112
6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole
CID 155521443
4-chloro-6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155523951
6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155529949
6-[2-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155533987

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline (CID 18999853) is 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline is Clc1cccc(-c2cnc3cc4[nH]ncc4cc3n2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is AGFJPZFWNPPCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-11-3-1-2-9(4-11)15-8-17-13-6-12-10(7-18-20-12)5-14(13)19-15/h1-8H,(H,18,20).
What are the key properties of 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline?
6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 280.72 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 18999853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).