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

C21H20ClN5 — CID 22432179

IUPAC6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
SMILESCCc1ccccc1Nc1nc2ccc(Cl)cc2nc1-n1nc(C)cc1C
InChIInChI=1S/C21H20ClN5/c1-4-15-7-5-6-8-17(15)23-20-21(27-14(3)11-13(2)26-27)25-19-12-16(22)9-10-18(19)24-20/h5-12H,4H2,1-3H3,(H,23,24)
InChIKeyNRLRRXIYOYGGEI-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.39
Rot. Bonds4

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

6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine (PubChem CID 22432179) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
PubChem CID22432179
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
SMILESCCc1ccccc1Nc1nc2ccc(Cl)cc2nc1-n1nc(C)cc1C
InChIInChI=1S/C21H20ClN5/c1-4-15-7-5-6-8-17(15)23-20-21(27-14(3)11-13(2)26-27)25-19-12-16(22)9-10-18(19)24-20/h5-12H,4H2,1-3H3,(H,23,24)
InChIKeyNRLRRXIYOYGGEI-UHFFFAOYSA-N
XLogP5.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-ethylphenyl)quinoxalin-2-amine
CID 22432192
6-chloro-N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 22432171
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 16765562
N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide
CID 102011257
N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989729
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
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine
CID 5300817
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
CID 15989782
3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
CID 22090511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine?
The IUPAC name of 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine (CID 22432179) is 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine.
What is the SMILES notation for 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine?
The canonical SMILES for 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine is CCc1ccccc1Nc1nc2ccc(Cl)cc2nc1-n1nc(C)cc1C.
What is the InChIKey of 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine?
The InChIKey is NRLRRXIYOYGGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c1-4-15-7-5-6-8-17(15)23-20-21(27-14(3)11-13(2)26-27)25-19-12-16(22)9-10-18(19)24-20/h5-12H,4H2,1-3H3,(H,23,24).
What are the key properties of 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine?
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine has a molecular weight of 377.88 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine is sourced from PubChem (CID 22432179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).