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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Related Compounds

(6aS)-6-(dimethylamino)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 7353211
(6aS)-6-(4-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 40715931
(6aR)-6-[(4-chlorophenyl)methyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 139181842
2-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]acetic acid
CID 99963175
3-(2-fluorophenyl)-1-methyl-2-(5-methylthiophen-2-yl)-2H-quinazolin-4-one
CID 71625423
methyl 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)benzoate
CID 102592965
3-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]propanoic acid
CID 42507417
2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-propan-2-ylacetamide
CID 91638164
8-methylidene-1-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaen-22-one
CID 10662671
2-(2-fluoro-5-methylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 141210836
6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione
CID 91703871
(4bR)-4bH-isoindolo[1,2-b][1,3]benzothiazol-11-one
CID 930835

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).