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

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Related Compounds

5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 11684098
N2-(3-chloro-4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826930
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22055240
5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 53322058
2-[4-[3-Chloro-4-(1-methylindazol-4-yl)oxyanilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
CID 57415537
US10071988, Example 2
CID 130309368
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22055269
6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
CID 56952223
6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 56952337
6-chloro-N-ethyl-7-methoxy-3-(1H-pyrazol-4-yl)quinoxalin-2-amine
CID 56952636
6-chloro-N-ethyl-7-methoxy-3-(1-methylpyrazol-4-yl)quinoxalin-2-amine
CID 56952731
6-chloro-N-ethyl-7-methoxy-3-(1-methylindol-5-yl)quinoxalin-2-amine
CID 56952732

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).