4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one

C16H15BrN2O2 — CID 82957257

IUPAC4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(O)c1ccc(Br)cc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H15BrN2O2/c1-10(20)12-7-6-11(17)8-15(12)19-9-16(21)18-13-4-2-3-5-14(13)19/h2-8,10,20H,9H2,1H3,(H,18,21)
InChIKeyHUPCKDXVDADUIL-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.59
Rot. Bonds2

About 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one

4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 82957257) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
PubChem CID82957257
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(O)c1ccc(Br)cc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H15BrN2O2/c1-10(20)12-7-6-11(17)8-15(12)19-9-16(21)18-13-4-2-3-5-14(13)19/h2-8,10,20H,9H2,1H3,(H,18,21)
InChIKeyHUPCKDXVDADUIL-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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Related Compounds

4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630
4-[2-bromo-4-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
CID 62909025
4-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114901390
5-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114890428
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one
CID 63370746
7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
CID 79290826
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
4-[4-(aminomethyl)-2-bromophenyl]-1,3-dihydroquinoxalin-2-one
CID 82794081
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one (CID 82957257) is 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one is CC(O)c1ccc(Br)cc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is HUPCKDXVDADUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10(20)12-7-6-11(17)8-15(12)19-9-16(21)18-13-4-2-3-5-14(13)19/h2-8,10,20H,9H2,1H3,(H,18,21).
What are the key properties of 4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one?
4-[5-bromo-2-(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-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 82957257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).