1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine

C37H28Br2ClN7O10S2 — CID 160671602

IUPAC1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine
SMILESCOc1cc(Br)ccc1-n1c(=O)cnc2cc(S(=O)(=O)Cc3ccon3)ccc21.COc1cc(Br)ccc1-n1c(=O)cnc2cc(S(=O)(=O)Cl)ccc21.Nc1ccon1
InChIInChI=1S/C19H14BrN3O5S.C15H10BrClN2O4S.C3H4N2O/c1-27-18-8-12(20)2-4-17(18)23-16-5-3-14(9-15(16)21-10-19(23)24)29(25,26)11-13-6-7-28-22-13;1-23-14-6-9(16)2-4-13(14)19-12-5-3-10(24(17,21)22)7-11(12)18-8-15(19)20;4-3-1-2-6-5-3/h2-10H,11H2,1H3;2-8H,1H3;1-2H,(H2,4,5)
InChIKeyRMZOPGUJBWVGEK-UHFFFAOYSA-N
MW990.06 g/mol
LogP6.46
Rot. Bonds8

About 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine

1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine (PubChem CID 160671602) has the molecular formula C37H28Br2ClN7O10S2 and a molecular weight of 990.06 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine
PubChem CID160671602
Molecular FormulaC37H28Br2ClN7O10S2
Molecular Weight990.06 g/mol
Exact Mass986.94
IUPAC Name1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine
SMILESCOc1cc(Br)ccc1-n1c(=O)cnc2cc(S(=O)(=O)Cc3ccon3)ccc21.COc1cc(Br)ccc1-n1c(=O)cnc2cc(S(=O)(=O)Cl)ccc21.Nc1ccon1
InChIInChI=1S/C19H14BrN3O5S.C15H10BrClN2O4S.C3H4N2O/c1-27-18-8-12(20)2-4-17(18)23-16-5-3-14(9-15(16)21-10-19(23)24)29(25,26)11-13-6-7-28-22-13;1-23-14-6-9(16)2-4-13(14)19-12-5-3-10(24(17,21)22)7-11(12)18-8-15(19)20;4-3-1-2-6-5-3/h2-10H,11H2,1H3;2-8H,1H3;1-2H,(H2,4,5)
InChIKeyRMZOPGUJBWVGEK-UHFFFAOYSA-N
XLogP6.46
TPSA234.60 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.06
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine (CID 160671602) is 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine is COc1cc(Br)ccc1-n1c(=O)cnc2cc(S(=O)(=O)Cc3ccon3)ccc21.COc1cc(Br)ccc1-n1c(=O)cnc2cc(S(=O)(=O)Cl)ccc21.Nc1ccon1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine?
The InChIKey is RMZOPGUJBWVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O5S.C15H10BrClN2O4S.C3H4N2O/c1-27-18-8-12(20)2-4-17(18)23-16-5-3-14(9-15(16)21-10-19(23)24)29(25,26)11-13-6-7-28-22-13;1-23-14-6-9(16)2-4-13(14)19-12-5-3-10(24(17,21)22)7-11(12)18-8-15(19)20;4-3-1-2-6-5-3/h2-10H,11H2,1H3;2-8H,1H3;1-2H,(H2,4,5).
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine?
1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine has a molecular weight of 990.06 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine is sourced from PubChem (CID 160671602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).