6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

C21H13FN2O2 — CID 3812393

IUPAC6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1c2ccccc2N2C(=O)c3ccccc3C2N1c1ccccc1F
InChIInChI=1S/C21H13FN2O2/c22-16-10-4-6-12-18(16)24-19-13-7-1-2-8-14(13)20(25)23(19)17-11-5-3-9-15(17)21(24)26/h1-12,19H
InChIKeyOPFOISRQECIOAS-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.15
Rot. Bonds1

About 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 3812393) has the molecular formula C21H13FN2O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID3812393
Molecular FormulaC21H13FN2O2
Molecular Weight344.35 g/mol
Exact Mass344.10
IUPAC Name6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1c2ccccc2N2C(=O)c3ccccc3C2N1c1ccccc1F
InChIInChI=1S/C21H13FN2O2/c22-16-10-4-6-12-18(16)24-19-13-7-1-2-8-14(13)20(25)23(19)17-11-5-3-9-15(17)21(24)26/h1-12,19H
InChIKeyOPFOISRQECIOAS-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 3812393) is 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is O=C1c2ccccc2N2C(=O)c3ccccc3C2N1c1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is OPFOISRQECIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O2/c22-16-10-4-6-12-18(16)24-19-13-7-1-2-8-14(13)20(25)23(19)17-11-5-3-9-15(17)21(24)26/h1-12,19H.
What are the key properties of 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 344.35 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 3812393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).