2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one

C16H11FN2O — CID 135028808

IUPAC2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one
SMILESCc1ccc2c(=O)n3c(nc2c1)-c1ccc(F)cc1C3
InChIInChI=1S/C16H11FN2O/c1-9-2-4-13-14(6-9)18-15-12-5-3-11(17)7-10(12)8-19(15)16(13)20/h2-7H,8H2,1H3
InChIKeyGAEDOWMCYINRAD-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.87
Rot. Bonds

About 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one

2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one (PubChem CID 135028808) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one.

Molecular Properties

Compound Name2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one
PubChem CID135028808
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one
SMILESCc1ccc2c(=O)n3c(nc2c1)-c1ccc(F)cc1C3
InChIInChI=1S/C16H11FN2O/c1-9-2-4-13-14(6-9)18-15-12-5-3-11(17)7-10(12)8-19(15)16(13)20/h2-7H,8H2,1H3
InChIKeyGAEDOWMCYINRAD-UHFFFAOYSA-N
XLogP2.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one?
The IUPAC name of 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one (CID 135028808) is 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one.
What is the SMILES notation for 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one?
The canonical SMILES for 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one is Cc1ccc2c(=O)n3c(nc2c1)-c1ccc(F)cc1C3.
What is the InChIKey of 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one?
The InChIKey is GAEDOWMCYINRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c1-9-2-4-13-14(6-9)18-15-12-5-3-11(17)7-10(12)8-19(15)16(13)20/h2-7H,8H2,1H3.
What are the key properties of 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one?
2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one has a molecular weight of 266.28 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one is sourced from PubChem (CID 135028808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).