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

C15H10ClNO2 — CID 10516298

IUPAC3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
SMILESO=C1c2ccccc2C2c3ccc(Cl)cc3OCN12
InChIInChI=1S/C15H10ClNO2/c16-9-5-6-12-13(7-9)19-8-17-14(12)10-3-1-2-4-11(10)15(17)18/h1-7,14H,8H2
InChIKeyUOTWJMQSXFJDKS-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.24
Rot. Bonds

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

3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one (PubChem CID 10516298) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
PubChem CID10516298
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
SMILESO=C1c2ccccc2C2c3ccc(Cl)cc3OCN12
InChIInChI=1S/C15H10ClNO2/c16-9-5-6-12-13(7-9)19-8-17-14(12)10-3-1-2-4-11(10)15(17)18/h1-7,14H,8H2
InChIKeyUOTWJMQSXFJDKS-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one
CID 10757751
(1R)-9-oxa-11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
CID 101254224
7-chloro-4b,10-dihydroisoindolo[1,2-b][1,3]benzothiazin-12-one
CID 11403484
11-azatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaen-12-one
CID 3800854
(6aR)-3-chloro-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one
CID 69060460
(6aS)-3-chloro-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one
CID 69063278
(3aR,5R)-5-(4-chlorophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[2,1-c][2,4]benzoxazepin-10-one
CID 71524522
(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol
CID 79002138
6-chloro-2,3-dihydro-1-benzofuran-3-ol
CID 59606807
2-[(1R,2R)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
CID 71270644
(3S,4S)-3-(2,4-dichlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 125369939
[4-(8-chloro-5,11-dihydro-[1]benzoxepino[4,3-b]pyridin-11-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 19926432

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one?
The IUPAC name of 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one (CID 10516298) is 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one.
What is the SMILES notation for 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one?
The canonical SMILES for 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one is O=C1c2ccccc2C2c3ccc(Cl)cc3OCN12.
What is the InChIKey of 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one?
The InChIKey is UOTWJMQSXFJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-9-5-6-12-13(7-9)19-8-17-14(12)10-3-1-2-4-11(10)15(17)18/h1-7,14H,8H2.
What are the key properties of 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one?
3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one has a molecular weight of 271.70 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,12b-dihydroisoindolo[2,3-c][1,3]benzoxazin-8-one is sourced from PubChem (CID 10516298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).