6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one

C14H10BrClN2O — CID 79290624

IUPAC6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccc(Cl)cc2)c2cc(Br)ccc2N1
InChIInChI=1S/C14H10BrClN2O/c15-9-1-6-12-13(7-9)18(8-14(19)17-12)11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,19)
InChIKeyDMTBJRLOXTZETL-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.19
Rot. Bonds1

About 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one

6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 79290624) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
PubChem CID79290624
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccc(Cl)cc2)c2cc(Br)ccc2N1
InChIInChI=1S/C14H10BrClN2O/c15-9-1-6-12-13(7-9)18(8-14(19)17-12)11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,19)
InChIKeyDMTBJRLOXTZETL-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one (CID 79290624) is 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(c2ccc(Cl)cc2)c2cc(Br)ccc2N1.
What is the InChIKey of 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is DMTBJRLOXTZETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-9-1-6-12-13(7-9)18(8-14(19)17-12)11-4-2-10(16)3-5-11/h1-7H,8H2,(H,17,19).
What are the key properties of 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one?
6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 337.60 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79290624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).