6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine

C21H19Cl2N5O — CID 5300817

IUPAC6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine
SMILESCOc1ccc(C)cc1Nc1nc2cc(Cl)c(Cl)cc2nc1-n1nc(C)cc1C
InChIInChI=1S/C21H19Cl2N5O/c1-11-5-6-19(29-4)18(7-11)25-20-21(28-13(3)8-12(2)27-28)26-17-10-15(23)14(22)9-16(17)24-20/h5-10H,1-4H3,(H,24,25)
InChIKeyOOAMNEMNPARBEQ-UHFFFAOYSA-N
MW428.32 g/mol
LogP5.80
Rot. Bonds4

About 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine

6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine (PubChem CID 5300817) has the molecular formula C21H19Cl2N5O and a molecular weight of 428.32 g/mol. Its IUPAC name is 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine
PubChem CID5300817
Molecular FormulaC21H19Cl2N5O
Molecular Weight428.32 g/mol
Exact Mass427.10
IUPAC Name6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine
SMILESCOc1ccc(C)cc1Nc1nc2cc(Cl)c(Cl)cc2nc1-n1nc(C)cc1C
InChIInChI=1S/C21H19Cl2N5O/c1-11-5-6-19(29-4)18(7-11)25-20-21(28-13(3)8-12(2)27-28)26-17-10-15(23)14(22)9-16(17)24-20/h5-10H,1-4H3,(H,24,25)
InChIKeyOOAMNEMNPARBEQ-UHFFFAOYSA-N
XLogP5.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
CID 15989782
6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 16765562
N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989729
3,5-dichloro-2-N-ethyl-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-diamine
CID 102754963
3,5-dichloro-6-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 102762320
6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974359
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
CID 22432179
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide
CID 102011257
4-chloro-6-(2-methoxy-5-methylanilino)pyrimidine-5-carbaldehyde
CID 66366723
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine (CID 5300817) is 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine is COc1ccc(C)cc1Nc1nc2cc(Cl)c(Cl)cc2nc1-n1nc(C)cc1C.
What is the InChIKey of 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine?
The InChIKey is OOAMNEMNPARBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O/c1-11-5-6-19(29-4)18(7-11)25-20-21(28-13(3)8-12(2)27-28)26-17-10-15(23)14(22)9-16(17)24-20/h5-10H,1-4H3,(H,24,25).
What are the key properties of 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine?
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine has a molecular weight of 428.32 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine is sourced from PubChem (CID 5300817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).