5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol

C31H20Cl4F2N4O2 — CID 158250214

IUPAC5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol
SMILESCC(O)c1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl.COc1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl
InChIInChI=1S/C16H11Cl2FN2O.C15H9Cl2FN2O/c1-8(22)14-15(10-7-9(19)5-6-11(10)17)21-16-12(18)3-2-4-13(16)20-14;1-21-15-13(9-7-8(18)5-6-10(9)16)20-14-11(17)3-2-4-12(14)19-15/h2-8,22H,1H3;2-7H,1H3
InChIKeyGGPTXNYGXXSJDK-UHFFFAOYSA-N
MW660.34 g/mol
LogP9.55
Rot. Bonds4

About 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol

5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol (PubChem CID 158250214) has the molecular formula C31H20Cl4F2N4O2 and a molecular weight of 660.34 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol
PubChem CID158250214
Molecular FormulaC31H20Cl4F2N4O2
Molecular Weight660.34 g/mol
Exact Mass658.03
IUPAC Name5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol
SMILESCC(O)c1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl.COc1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl
InChIInChI=1S/C16H11Cl2FN2O.C15H9Cl2FN2O/c1-8(22)14-15(10-7-9(19)5-6-11(10)17)21-16-12(18)3-2-4-13(16)20-14;1-21-15-13(9-7-8(18)5-6-10(9)16)20-14-11(17)3-2-4-12(14)19-15/h2-8,22H,1H3;2-7H,1H3
InChIKeyGGPTXNYGXXSJDK-UHFFFAOYSA-N
XLogP9.55
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.34
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-chloro-3-methoxyquinoxalin-2-amine
CID 130019110
5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline
CID 122693573
2-(1-bromoethyl)-3-(2-chlorophenyl)-5-(trifluoromethyl)quinoxaline
CID 174610031
5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline
CID 163871354
1-[5-(1-chloroethenyl)-3-(2-chloro-5-fluorophenyl)-6-ethenylpyrazin-2-yl]ethanamine
CID 145483383
5-chloro-3-(2-chlorophenyl)-N-methylquinoxalin-2-amine
CID 174610026
8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline
CID 160951827
5-fluoro-2-(2-methoxyquinolin-3-yl)phenol
CID 155917206
(2-chloro-5-fluorophenyl)-quinolin-2-ylmethanone
CID 105394234
4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 105396018
2-fluoro-3-methoxyquinoxaline
CID 69493695
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol?
The IUPAC name of 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol (CID 158250214) is 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol.
What is the SMILES notation for 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol?
The canonical SMILES for 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol is CC(O)c1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl.COc1nc2cccc(Cl)c2nc1-c1cc(F)ccc1Cl.
What is the InChIKey of 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol?
The InChIKey is GGPTXNYGXXSJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O.C15H9Cl2FN2O/c1-8(22)14-15(10-7-9(19)5-6-11(10)17)21-16-12(18)3-2-4-13(16)20-14;1-21-15-13(9-7-8(18)5-6-10(9)16)20-14-11(17)3-2-4-12(14)19-15/h2-8,22H,1H3;2-7H,1H3.
What are the key properties of 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol?
5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol has a molecular weight of 660.34 g/mol, XLogP of 9.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol is sourced from PubChem (CID 158250214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).