3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine

C20H19N5O — CID 914394

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C20H19N5O/c1-13-12-14(2)25(24-13)20-19(21-15-8-10-16(26-3)11-9-15)22-17-6-4-5-7-18(17)23-20/h4-12H,1-3H3,(H,21,22)
InChIKeyWKZROCNYVBTGDA-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.18
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine

3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine (PubChem CID 914394) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine
PubChem CID914394
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C20H19N5O/c1-13-12-14(2)25(24-13)20-19(21-15-8-10-16(26-3)11-9-15)22-17-6-4-5-7-18(17)23-20/h4-12H,1-3H3,(H,21,22)
InChIKeyWKZROCNYVBTGDA-UHFFFAOYSA-N
XLogP4.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine (CID 914394) is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine is COc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine?
The InChIKey is WKZROCNYVBTGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-12-14(2)25(24-13)20-19(21-15-8-10-16(26-3)11-9-15)22-17-6-4-5-7-18(17)23-20/h4-12H,1-3H3,(H,21,22).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine is sourced from PubChem (CID 914394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).