6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one

C15H9Br2ClN2O — CID 123418809

IUPAC6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2nc1Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C15H9Br2ClN2O/c16-9-3-8(4-10(17)6-9)5-14-15(21)20-12-2-1-11(18)7-13(12)19-14/h1-4,6-7H,5H2,(H,20,21)
InChIKeyYUTFEGLCBCCEGK-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.69
Rot. Bonds2

About 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one

6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one (PubChem CID 123418809) has the molecular formula C15H9Br2ClN2O and a molecular weight of 428.51 g/mol. Its IUPAC name is 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one
PubChem CID123418809
Molecular FormulaC15H9Br2ClN2O
Molecular Weight428.51 g/mol
Exact Mass425.88
IUPAC Name6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2nc1Cc1cc(Br)cc(Br)c1
InChIInChI=1S/C15H9Br2ClN2O/c16-9-3-8(4-10(17)6-9)5-14-15(21)20-12-2-1-11(18)7-13(12)19-14/h1-4,6-7H,5H2,(H,20,21)
InChIKeyYUTFEGLCBCCEGK-UHFFFAOYSA-N
XLogP4.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one (CID 123418809) is 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccc(Cl)cc2nc1Cc1cc(Br)cc(Br)c1.
What is the InChIKey of 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one?
The InChIKey is YUTFEGLCBCCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2ClN2O/c16-9-3-8(4-10(17)6-9)5-14-15(21)20-12-2-1-11(18)7-13(12)19-14/h1-4,6-7H,5H2,(H,20,21).
What are the key properties of 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one?
6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one has a molecular weight of 428.51 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3,5-dibromophenyl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 123418809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).