N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine

C21H20ClN5O — CID 15989782

IUPACN-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3nc2-n2nc(C)cc2C)cc1Cl
InChIInChI=1S/C21H20ClN5O/c1-12-5-7-17-18(9-12)25-21(27-14(3)10-13(2)26-27)20(24-17)23-15-6-8-19(28-4)16(22)11-15/h5-11H,1-4H3,(H,23,24)
InChIKeyDBOUAAFQHDFKKW-UHFFFAOYSA-N
MW393.88 g/mol
LogP5.15
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine (PubChem CID 15989782) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
PubChem CID15989782
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3nc2-n2nc(C)cc2C)cc1Cl
InChIInChI=1S/C21H20ClN5O/c1-12-5-7-17-18(9-12)25-21(27-14(3)10-13(2)26-27)20(24-17)23-15-6-8-19(28-4)16(22)11-15/h5-11H,1-4H3,(H,23,24)
InChIKeyDBOUAAFQHDFKKW-UHFFFAOYSA-N
XLogP5.15
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.88
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine
CID 5300817
N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989729
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
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine
CID 5300818
N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
N-(3-chloro-4-methoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine
CID 22431441
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-ethylphenyl)quinoxalin-2-amine
CID 22432192
N-(3-chloro-4-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 734476
N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide
CID 102011257
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine (CID 15989782) is N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine is COc1ccc(Nc2nc3ccc(C)cc3nc2-n2nc(C)cc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine?
The InChIKey is DBOUAAFQHDFKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-12-5-7-17-18(9-12)25-21(27-14(3)10-13(2)26-27)20(24-17)23-15-6-8-19(28-4)16(22)11-15/h5-11H,1-4H3,(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine?
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine has a molecular weight of 393.88 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine is sourced from PubChem (CID 15989782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).