9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one

C15H9BrN2O — CID 102436027

IUPAC9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one
SMILESO=c1[nH]c2ccccc2n2cc3cc(Br)ccc3c12
InChIInChI=1S/C15H9BrN2O/c16-10-5-6-11-9(7-10)8-18-13-4-2-1-3-12(13)17-15(19)14(11)18/h1-8H,(H,17,19)
InChIKeyJMJXVUZNUWCVRM-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.70
Rot. Bonds

About 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one

9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one (PubChem CID 102436027) has the molecular formula C15H9BrN2O and a molecular weight of 313.15 g/mol. Its IUPAC name is 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one.

Molecular Properties

Compound Name9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one
PubChem CID102436027
Molecular FormulaC15H9BrN2O
Molecular Weight313.15 g/mol
Exact Mass311.99
IUPAC Name9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one
SMILESO=c1[nH]c2ccccc2n2cc3cc(Br)ccc3c12
InChIInChI=1S/C15H9BrN2O/c16-10-5-6-11-9(7-10)8-18-13-4-2-1-3-12(13)17-15(19)14(11)18/h1-8H,(H,17,19)
InChIKeyJMJXVUZNUWCVRM-UHFFFAOYSA-N
XLogP3.70
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one
CID 155808210
3-methyl-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 175861879
4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
CID 82618520
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
6-bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264
7-bromo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 83488792
7-bromo-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,14,16,18-octaen-12-one
CID 155137725
7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one
CID 137239094
3-(5-bromo-2-methylphenyl)-1H-benzimidazole-2-thione
CID 43806265
3-(5-bromo-2-chlorophenyl)-1H-benzimidazole-2-thione
CID 63547481
20-bromo-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17(22),18,20-nonaene-12,14-dione
CID 5330710
7-bromo-1,5-dihydropyrrolo[3,2-c]quinolin-4-one
CID 172560088

Frequently Asked Questions

What is the IUPAC name of 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one?
The IUPAC name of 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one (CID 102436027) is 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one.
What is the SMILES notation for 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one?
The canonical SMILES for 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one is O=c1[nH]c2ccccc2n2cc3cc(Br)ccc3c12.
What is the InChIKey of 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one?
The InChIKey is JMJXVUZNUWCVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O/c16-10-5-6-11-9(7-10)8-18-13-4-2-1-3-12(13)17-15(19)14(11)18/h1-8H,(H,17,19).
What are the key properties of 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one?
9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one has a molecular weight of 313.15 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5H-isoindolo[2,1-a]quinoxalin-6-one is sourced from PubChem (CID 102436027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).