4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one

C16H15BrN2O2 — CID 62909025

IUPAC4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(O)c1ccc(N2CC(=O)Nc3ccccc32)c(Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-10(20)11-6-7-14(12(17)8-11)19-9-16(21)18-13-4-2-3-5-15(13)19/h2-8,10,20H,9H2,1H3,(H,18,21)
InChIKeyATJCEZPMQXSMLX-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.59
Rot. Bonds2

About 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one

4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 62909025) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
PubChem CID62909025
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(O)c1ccc(N2CC(=O)Nc3ccccc32)c(Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-10(20)11-6-7-14(12(17)8-11)19-9-16(21)18-13-4-2-3-5-15(13)19/h2-8,10,20H,9H2,1H3,(H,18,21)
InChIKeyATJCEZPMQXSMLX-UHFFFAOYSA-N
XLogP3.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one (CID 62909025) is 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one is CC(O)c1ccc(N2CC(=O)Nc3ccccc32)c(Br)c1.
What is the InChIKey of 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is ATJCEZPMQXSMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10(20)11-6-7-14(12(17)8-11)19-9-16(21)18-13-4-2-3-5-15(13)19/h2-8,10,20H,9H2,1H3,(H,18,21).
What are the key properties of 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 347.21 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 62909025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).