5-bromo-3,4-dihydro-1H-quinoxalin-2-one

C8H7BrN2O — CID 10727982

IUPAC5-bromo-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2c(Br)cccc2N1
InChIInChI=1S/C8H7BrN2O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-3,10H,4H2,(H,11,12)
InChIKeyIQJCYNXTRJWEPW-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.81
Rot. Bonds

About 5-bromo-3,4-dihydro-1H-quinoxalin-2-one

5-bromo-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 10727982) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID10727982
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name5-bromo-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2c(Br)cccc2N1
InChIInChI=1S/C8H7BrN2O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-3,10H,4H2,(H,11,12)
InChIKeyIQJCYNXTRJWEPW-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 687138
2(1H)-Quinoxalinone, 3,4-dihydro-
CID 185949
5,7-Dibromo-1,4-dihydro-2,3-quinoxalinedione
CID 10591750
1-Methyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 21297195
6-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 66911307
N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
3-Methyl-3,4-dihydroquinoxalin-2(1H)-one
CID 2763642
7-bromo-1H-quinoxalin-2-one
CID 4913264
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
5-Amino-6,7-dibromo-1,4-dihydro-2,3-quinoxalinedione
CID 10520762
6,7-Dibromo-1,4-dihydroquinoxaline-2,3-dione
CID 15021835
7-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 24707978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 5-bromo-3,4-dihydro-1H-quinoxalin-2-one (CID 10727982) is 5-bromo-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 5-bromo-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 5-bromo-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2c(Br)cccc2N1.
What is the InChIKey of 5-bromo-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is IQJCYNXTRJWEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-5-2-1-3-6-8(5)10-4-7(12)11-6/h1-3,10H,4H2,(H,11,12).
What are the key properties of 5-bromo-3,4-dihydro-1H-quinoxalin-2-one?
5-bromo-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 227.06 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 10727982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).