4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one

C15H10BrNO2 — CID 10757751

IUPAC4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
SMILESO=C1c2ccccc2C2c3cccc(Br)c3OCN12
InChIInChI=1S/C15H10BrNO2/c16-12-7-3-6-11-13-9-4-1-2-5-10(9)15(18)17(13)8-19-14(11)12/h1-7,13H,8H2
InChIKeyOHKVILNKPBUBQK-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.34
Rot. Bonds

About 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one

4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one (PubChem CID 10757751) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
PubChem CID10757751
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
SMILESO=C1c2ccccc2C2c3cccc(Br)c3OCN12
InChIInChI=1S/C15H10BrNO2/c16-12-7-3-6-11-13-9-4-1-2-5-10(9)15(18)17(13)8-19-14(11)12/h1-7,13H,8H2
InChIKeyOHKVILNKPBUBQK-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
CID 10516298
(1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
CID 101254224
11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
CID 3800854
12-(2-bromophenyl)-9-fluoro-6,11b-dihydroquinazolino[1,2-c][1,3]benzoxazin-13-one
CID 122203103
1-(2-bromophenyl)sulfonyl-2,3,4,10b-tetrahydropyrimido[1,2-b]isoindol-6-one
CID 23875472
(8-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82387181
(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 10773997
(3R,10bR)-3-bromo-2,2-dimethyl-4,10b-dihydro-3H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 139246736
8-bromo-3-methoxy-2,3-dihydrochromen-4-one
CID 130039350
9-bromo-3,4-dihydro-2H-1-benzoxepin-5-one
CID 43153232
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one?
The IUPAC name of 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one (CID 10757751) is 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one.
What is the SMILES notation for 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one?
The canonical SMILES for 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one is O=C1c2ccccc2C2c3cccc(Br)c3OCN12.
What is the InChIKey of 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one?
The InChIKey is OHKVILNKPBUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-12-7-3-6-11-13-9-4-1-2-5-10(9)15(18)17(13)8-19-14(11)12/h1-7,13H,8H2.
What are the key properties of 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one?
4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one has a molecular weight of 316.15 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one is sourced from PubChem (CID 10757751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).