6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline

C15H8Cl2N4 — CID 18999849

IUPAC6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESClc1cc(Cl)cc(-c2cnc3cc4[nH]ncc4cc3n2)c1
InChIInChI=1S/C15H8Cl2N4/c16-10-1-8(2-11(17)4-10)15-7-18-13-5-12-9(6-19-21-12)3-14(13)20-15/h1-7H,(H,19,21)
InChIKeyUDPYNRPHMDXUEE-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.48
Rot. Bonds1

About 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline

6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 18999849) has the molecular formula C15H8Cl2N4 and a molecular weight of 315.16 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID18999849
Molecular FormulaC15H8Cl2N4
Molecular Weight315.16 g/mol
Exact Mass314.01
IUPAC Name6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
SMILESClc1cc(Cl)cc(-c2cnc3cc4[nH]ncc4cc3n2)c1
InChIInChI=1S/C15H8Cl2N4/c16-10-1-8(2-11(17)4-10)15-7-18-13-5-12-9(6-19-21-12)3-14(13)20-15/h1-7H,(H,19,21)
InChIKeyUDPYNRPHMDXUEE-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
5-(1-(3,5-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166867
6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155516730
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-[(5-chloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155533987
6-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155545063
6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155550469
N-[(3-chloro-5-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734048
3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
CID 166551405
10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
CID 118711717
6-[2-[(3,6-dichloro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 155531322

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline (CID 18999849) is 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline is Clc1cc(Cl)cc(-c2cnc3cc4[nH]ncc4cc3n2)c1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is UDPYNRPHMDXUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4/c16-10-1-8(2-11(17)4-10)15-7-18-13-5-12-9(6-19-21-12)3-14(13)20-15/h1-7H,(H,19,21).
What are the key properties of 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline?
6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 315.16 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 18999849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).