4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one

C16H12FNO2 — CID 10849567

IUPAC4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one
SMILESCC12c3ccccc3C(=O)N1COc1c(F)cccc12
InChIInChI=1S/C16H12FNO2/c1-16-11-6-3-2-5-10(11)15(19)18(16)9-20-14-12(16)7-4-8-13(14)17/h2-8H,9H2,1H3
InChIKeyQWKPILQJKIEVJZ-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.89
Rot. Bonds

About 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one

4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one (PubChem CID 10849567) has the molecular formula C16H12FNO2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one
PubChem CID10849567
Molecular FormulaC16H12FNO2
Molecular Weight269.27 g/mol
Exact Mass269.09
IUPAC Name4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one
SMILESCC12c3ccccc3C(=O)N1COc1c(F)cccc12
InChIInChI=1S/C16H12FNO2/c1-16-11-6-3-2-5-10(11)15(19)18(16)9-20-14-12(16)7-4-8-13(14)17/h2-8H,9H2,1H3
InChIKeyQWKPILQJKIEVJZ-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,9b-dimethyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 21398427
(5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione
CID 10869868
9b-methylspiro[[1,3]oxazolo[2,3-a]isoindole-3,1'-cyclopentane]-2,5-dione
CID 134110005
8-fluoro-N,4-dimethyl-2,3-dihydrochromen-4-amine
CID 82606226
9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592317
9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592315
3,3,9b-trimethyl-[1,3]oxazolo[2,3-a]isoindole-2,5-dione
CID 134103396
2,4,4-trimethyl-3H-isoquinolin-1-one
CID 21300145
9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592318
3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylisoindol-1-one
CID 134463057
10,12,12-trimethyl-3-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
CID 175653716
9b-butyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 23178365

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one?
The IUPAC name of 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one (CID 10849567) is 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one.
What is the SMILES notation for 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one?
The canonical SMILES for 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one is CC12c3ccccc3C(=O)N1COc1c(F)cccc12.
What is the InChIKey of 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one?
The InChIKey is QWKPILQJKIEVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-16-11-6-3-2-5-10(11)15(19)18(16)9-20-14-12(16)7-4-8-13(14)17/h2-8H,9H2,1H3.
What are the key properties of 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one?
4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one has a molecular weight of 269.27 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-12b-methyl-6H-isoindolo[2,1-c][1,3]benzoxazin-8-one is sourced from PubChem (CID 10849567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).