3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine

C22H24N6O2 — CID 163890435

IUPAC3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine
SMILESC=C(/N=N/N)c1cnc2ccc(N(CC3CC3)c3cc(OC)cc(OC)c3)cc2n1
InChIInChI=1S/C22H24N6O2/c1-14(26-27-23)22-12-24-20-7-6-16(10-21(20)25-22)28(13-15-4-5-15)17-8-18(29-2)11-19(9-17)30-3/h6-12,15H,1,4-5,13H2,2-3H3,(H2,23,26)
InChIKeyQBBCWITVVFCHSG-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.49
Rot. Bonds8

About 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine

3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine (PubChem CID 163890435) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine.

Molecular Properties

Compound Name3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine
PubChem CID163890435
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine
SMILESC=C(/N=N/N)c1cnc2ccc(N(CC3CC3)c3cc(OC)cc(OC)c3)cc2n1
InChIInChI=1S/C22H24N6O2/c1-14(26-27-23)22-12-24-20-7-6-16(10-21(20)25-22)28(13-15-4-5-15)17-8-18(29-2)11-19(9-17)30-3/h6-12,15H,1,4-5,13H2,2-3H3,(H2,23,26)
InChIKeyQBBCWITVVFCHSG-UHFFFAOYSA-N
XLogP4.49
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Erdafitinib
CID 67462786
N'-(3,5-dimethoxyphenyl)-N'-[2-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 153991507
2-((3,5-Dimethoxyphenyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)ethanol
CID 54591049
Erdafitinib Impurity 13
CID 67461665
N-(3,5-Dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
CID 68208633
3-((2-(isopropylamino)ethyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-5 methoxyphenol
CID 68208904
6-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-hydroxyhexanamide
CID 168272285
4-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxybutanamide
CID 168274259
5-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-hydroxypentanamide
CID 168280680
5-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxypentanamide
CID 168292077
6-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxyhexanamide
CID 168295585
1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-3-ol
CID 53482136

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine?
The IUPAC name of 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine (CID 163890435) is 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine.
What is the SMILES notation for 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine?
The canonical SMILES for 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine is C=C(/N=N/N)c1cnc2ccc(N(CC3CC3)c3cc(OC)cc(OC)c3)cc2n1.
What is the InChIKey of 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine?
The InChIKey is QBBCWITVVFCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14(26-27-23)22-12-24-20-7-6-16(10-21(20)25-22)28(13-15-4-5-15)17-8-18(29-2)11-19(9-17)30-3/h6-12,15H,1,4-5,13H2,2-3H3,(H2,23,26).
What are the key properties of 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine?
3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine has a molecular weight of 404.47 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminodiazenyl)ethenyl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine is sourced from PubChem (CID 163890435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).