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

C19H14Cl2FN5 — CID 5300818

IUPAC6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2cccc(F)c2)n1
InChIInChI=1S/C19H14Cl2FN5/c1-10-6-11(2)27(26-10)19-18(23-13-5-3-4-12(22)7-13)24-16-8-14(20)15(21)9-17(16)25-19/h3-9H,1-2H3,(H,23,24)
InChIKeyHWNYWWPZUIXECE-UHFFFAOYSA-N
MW402.26 g/mol
LogP5.62
Rot. Bonds3

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

6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine (PubChem CID 5300818) has the molecular formula C19H14Cl2FN5 and a molecular weight of 402.26 g/mol. Its IUPAC name is 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine
PubChem CID5300818
Molecular FormulaC19H14Cl2FN5
Molecular Weight402.26 g/mol
Exact Mass401.06
IUPAC Name6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine
SMILESCc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2cccc(F)c2)n1
InChIInChI=1S/C19H14Cl2FN5/c1-10-6-11(2)27(26-10)19-18(23-13-5-3-4-12(22)7-13)24-16-8-14(20)15(21)9-17(16)25-19/h3-9H,1-2H3,(H,23,24)
InChIKeyHWNYWWPZUIXECE-UHFFFAOYSA-N
XLogP5.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.26
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989729
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-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)quinoxalin-2-amine
CID 5300817
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-amine
CID 15989782
N-(4-bromophenyl)-7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 101211910
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-N-(2-ethylphenyl)quinoxalin-2-amine
CID 22432179
4-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)phthalazin-1-amine
CID 22433405
6-chloro-N-(2,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 16765562
N-(3-fluorophenyl)-6-methylpyridin-2-amine
CID 119089651
N-cyclopentyl-4-[[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]benzamide
CID 46248995

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine (CID 5300818) is 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine is Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2cccc(F)c2)n1.
What is the InChIKey of 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine?
The InChIKey is HWNYWWPZUIXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN5/c1-10-6-11(2)27(26-10)19-18(23-13-5-3-4-12(22)7-13)24-16-8-14(20)15(21)9-17(16)25-19/h3-9H,1-2H3,(H,23,24).
What are the key properties of 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine?
6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine has a molecular weight of 402.26 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(3,5-dimethylpyrazol-1-yl)-N-(3-fluorophenyl)quinoxalin-2-amine is sourced from PubChem (CID 5300818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).