3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine

C21H20ClN5O — CID 56952833

IUPAC3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C21H20ClN5O/c1-3-23-21-20(25-17-9-16(22)19(28-2)10-18(17)26-21)15-11-24-27(13-15)12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,23,26)
InChIKeyFKLJRHZYXHWGDQ-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.64
Rot. Bonds6

About 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine

3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine (PubChem CID 56952833) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
PubChem CID56952833
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C21H20ClN5O/c1-3-23-21-20(25-17-9-16(22)19(28-2)10-18(17)26-21)15-11-24-27(13-15)12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,23,26)
InChIKeyFKLJRHZYXHWGDQ-UHFFFAOYSA-N
XLogP4.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine (CID 56952833) is 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
The InChIKey is FKLJRHZYXHWGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-3-23-21-20(25-17-9-16(22)19(28-2)10-18(17)26-21)15-11-24-27(13-15)12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,23,26).
What are the key properties of 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine?
3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine has a molecular weight of 393.88 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 56952833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).