7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline

C24H29N7O4S — CID 68208755

IUPAC7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline
SMILESCN1C=C(C=N1)C2=CN=C3C=CC(=CC3=N2)N(CCNS(=O)(=O)N(C)C)C4=CC(=CC(=C4)OC)OC
InChIInChI=1S/C24H29N7O4S/c1-29(2)36(32,33)27-8-9-31(19-10-20(34-4)13-21(11-19)35-5)18-6-7-22-23(12-18)28-24(15-25-22)17-14-26-30(3)16-17/h6-7,10-16,27H,8-9H2,1-5H3
InChIKeySISPBNWXCLKBKE-UHFFFAOYSA-N
MW511.60 g/mol
LogP1.80
Rot. Bonds10

About 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline

7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline (PubChem CID 68208755) has the molecular formula C24H29N7O4S and a molecular weight of 511.60 g/mol. Its IUPAC name is 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline.

Molecular Properties

Compound Name7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline
PubChem CID68208755
Molecular FormulaC24H29N7O4S
Molecular Weight511.60 g/mol
Exact Mass511.20
IUPAC Name7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline
SMILESCN1C=C(C=N1)C2=CN=C3C=CC(=CC3=N2)N(CCNS(=O)(=O)N(C)C)C4=CC(=CC(=C4)OC)OC
InChIInChI=1S/C24H29N7O4S/c1-29(2)36(32,33)27-8-9-31(19-10-20(34-4)13-21(11-19)35-5)18-6-7-22-23(12-18)28-24(15-25-22)17-14-26-30(3)16-17/h6-7,10-16,27H,8-9H2,1-5H3
InChIKeySISPBNWXCLKBKE-UHFFFAOYSA-N
XLogP1.80
TPSA123.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity786

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline with MolForge

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Related Compounds

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Hdac-IN-50
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5-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxypentanamide
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3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxypropanamide
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6-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxyhexanamide
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4-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxybutanamide
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9-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxynonanamide
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N'-(3,5-dimethoxyphenyl)-N'-[2-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 153991507
8-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxyoctanamide
CID 168292799
n1-(3,5-Dimethoxyphenyl)-n1-(3-(1-methyl-1h-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine
CID 67461665
N-(3,5-Dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
CID 68208633
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Frequently Asked Questions

What is the IUPAC name of 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline?
The IUPAC name of 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline (CID 68208755) is 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline.
What is the SMILES notation for 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline?
The canonical SMILES for 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline is CN1C=C(C=N1)C2=CN=C3C=CC(=CC3=N2)N(CCNS(=O)(=O)N(C)C)C4=CC(=CC(=C4)OC)OC.
What is the InChIKey of 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline?
The InChIKey is SISPBNWXCLKBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4S/c1-29(2)36(32,33)27-8-9-31(19-10-20(34-4)13-21(11-19)35-5)18-6-7-22-23(12-18)28-24(15-25-22)17-14-26-30(3)16-17/h6-7,10-16,27H,8-9H2,1-5H3.
What are the key properties of 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline?
7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline has a molecular weight of 511.60 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[N-[2-(dimethylsulfamoylamino)ethyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline is sourced from PubChem (CID 68208755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).