6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine

C21H20ClN5O2 — CID 16765562

IUPAC6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)c(OC)c1
InChIInChI=1S/C21H20ClN5O2/c1-12-9-13(2)27(26-12)21-20(23-16-7-5-14(22)10-18(16)25-21)24-17-8-6-15(28-3)11-19(17)29-4/h5-11H,1-4H3,(H,23,24)
InChIKeyVSFMPWHUUHNXFD-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.85
Rot. Bonds5

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

6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine (PubChem CID 16765562) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
PubChem CID16765562
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)c(OC)c1
InChIInChI=1S/C21H20ClN5O2/c1-12-9-13(2)27(26-12)21-20(23-16-7-5-14(22)10-18(16)25-21)24-17-8-6-15(28-3)11-19(17)29-4/h5-11H,1-4H3,(H,23,24)
InChIKeyVSFMPWHUUHNXFD-UHFFFAOYSA-N
XLogP4.85
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-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

Related Compounds

6-chloro-N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 22432171
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
CID 22432179
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine
CID 5300817
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-ethylphenyl)quinoxalin-2-amine
CID 22432192
N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide
CID 102011257
2-N-(4-chloro-2-methylphenyl)-4-N-(2,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930055
N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine
CID 5300818
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305321
3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
CID 114836602
N-(5-chloro-2-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 886675

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The IUPAC name of 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine (CID 16765562) is 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine is COc1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)c(OC)c1.
What is the InChIKey of 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
The InChIKey is VSFMPWHUUHNXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-12-9-13(2)27(26-12)21-20(23-16-7-5-14(22)10-18(16)25-21)24-17-8-6-15(28-3)11-19(17)29-4/h5-11H,1-4H3,(H,23,24).
What are the key properties of 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine?
6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine has a molecular weight of 409.88 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine is sourced from PubChem (CID 16765562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).