N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine

C23H24N6O3 — CID 123722363

IUPACN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC(C)N=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C23H24N6O3/c1-15(27-30)13-29(18-7-19(31-3)10-20(8-18)32-4)17-5-6-21-22(9-17)26-23(12-24-21)16-11-25-28(2)14-16/h5-12,14-15H,13H2,1-4H3
InChIKeyJUKPOVUNZJMXBJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.34
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine (PubChem CID 123722363) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
PubChem CID123722363
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC(C)N=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C23H24N6O3/c1-15(27-30)13-29(18-7-19(31-3)10-20(8-18)32-4)17-5-6-21-22(9-17)26-23(12-24-21)16-11-25-28(2)14-16/h5-12,14-15H,13H2,1-4H3
InChIKeyJUKPOVUNZJMXBJ-UHFFFAOYSA-N
XLogP4.34
TPSA94.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine (CID 123722363) is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC(C)N=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine?
The InChIKey is JUKPOVUNZJMXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15(27-30)13-29(18-7-19(31-3)10-20(8-18)32-4)17-5-6-21-22(9-17)26-23(12-24-21)16-11-25-28(2)14-16/h5-12,14-15H,13H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine has a molecular weight of 432.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine is sourced from PubChem (CID 123722363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).