4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one

C14H11BrN2O — CID 117006597

IUPAC4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccc(Br)cc2)c2ccccc2N1
InChIInChI=1S/C14H11BrN2O/c15-10-5-7-11(8-6-10)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18)
InChIKeyNNSIGMCYRXXCCT-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.54
Rot. Bonds1

About 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one

4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 117006597) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
PubChem CID117006597
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2ccc(Br)cc2)c2ccccc2N1
InChIInChI=1S/C14H11BrN2O/c15-10-5-7-11(8-6-10)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18)
InChIKeyNNSIGMCYRXXCCT-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
CID 79290826
4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde
CID 28822379
6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 79290624
5-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114890428
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630
4-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114901390
4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
CID 82957257
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679864
4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one
CID 83121972
6-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-1,6-benzodiazocine
CID 117015772
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one (CID 117006597) is 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(c2ccc(Br)cc2)c2ccccc2N1.
What is the InChIKey of 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is NNSIGMCYRXXCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-10-5-7-11(8-6-10)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18).
What are the key properties of 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one?
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 303.16 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).