5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one

C11H13BrN2O — CID 83844763

IUPAC5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
SMILESCC(C)N1CC(=O)Nc2cccc(Br)c21
InChIInChI=1S/C11H13BrN2O/c1-7(2)14-6-10(15)13-9-5-3-4-8(12)11(9)14/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeyNWDAXZPZUAJAJL-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.62
Rot. Bonds1

About 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one

5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one (PubChem CID 83844763) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
PubChem CID83844763
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
SMILESCC(C)N1CC(=O)Nc2cccc(Br)c21
InChIInChI=1S/C11H13BrN2O/c1-7(2)14-6-10(15)13-9-5-3-4-8(12)11(9)14/h3-5,7H,6H2,1-2H3,(H,13,15)
InChIKeyNWDAXZPZUAJAJL-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
CID 115095436
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887
4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577478
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573
8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096604
4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
CID 107603680
4-tert-butyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554274
8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096601
4-cyclopropyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554224
5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
CID 115096457
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide
CID 63571192
5-bromo-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097278

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one (CID 83844763) is 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one is CC(C)N1CC(=O)Nc2cccc(Br)c21.
What is the InChIKey of 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The InChIKey is NWDAXZPZUAJAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7(2)14-6-10(15)13-9-5-3-4-8(12)11(9)14/h3-5,7H,6H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one has a molecular weight of 269.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 83844763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).