3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine

C21H15ClN6 — CID 108778771

IUPAC3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
SMILESCc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C21H15ClN6/c1-13-12-19(26-21-20(22)24-16-8-4-5-9-17(16)25-21)28(27-13)18-11-10-14-6-2-3-7-15(14)23-18/h2-12H,1H3,(H,25,26)
InChIKeyUYVKDZRVMDMIIT-UHFFFAOYSA-N
MW386.85 g/mol
LogP5.07
Rot. Bonds3

About 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine

3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine (PubChem CID 108778771) has the molecular formula C21H15ClN6 and a molecular weight of 386.85 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
PubChem CID108778771
Molecular FormulaC21H15ClN6
Molecular Weight386.85 g/mol
Exact Mass386.10
IUPAC Name3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
SMILESCc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C21H15ClN6/c1-13-12-19(26-21-20(22)24-16-8-4-5-9-17(16)25-21)28(27-13)18-11-10-14-6-2-3-7-15(14)23-18/h2-12H,1H3,(H,25,26)
InChIKeyUYVKDZRVMDMIIT-UHFFFAOYSA-N
XLogP5.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
CID 108778767
ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 108778727
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 108778770
ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745
1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
CID 108746548
5-[(3-chloroquinoxalin-2-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779190
N-(5-methyl-2-phenylpyrazol-3-yl)quinolin-2-amine
CID 3591179
2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
CID 108768765
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
CID 108768759
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine
CID 108779379

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine (CID 108778771) is 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine is Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine?
The InChIKey is UYVKDZRVMDMIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6/c1-13-12-19(26-21-20(22)24-16-8-4-5-9-17(16)25-21)28(27-13)18-11-10-14-6-2-3-7-15(14)23-18/h2-12H,1H3,(H,25,26).
What are the key properties of 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine?
3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine has a molecular weight of 386.85 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine is sourced from PubChem (CID 108778771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).