8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one

C20H18FN3O2 — CID 170438361

IUPAC8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(N3Cc4ccc(F)cc4C3)nc12
InChIInChI=1S/C20H18FN3O2/c1-11-6-16(12(2)25)18-17(7-11)19(26)23(3)20(22-18)24-9-13-4-5-15(21)8-14(13)10-24/h4-8H,9-10H2,1-3H3
InChIKeyRFFVTXKYJOBVJY-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.10
Rot. Bonds2

About 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one

8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one (PubChem CID 170438361) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one
PubChem CID170438361
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(N3Cc4ccc(F)cc4C3)nc12
InChIInChI=1S/C20H18FN3O2/c1-11-6-16(12(2)25)18-17(7-11)19(26)23(3)20(22-18)24-9-13-4-5-15(21)8-14(13)10-24/h4-8H,9-10H2,1-3H3
InChIKeyRFFVTXKYJOBVJY-UHFFFAOYSA-N
XLogP3.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one (CID 170438361) is 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(N3Cc4ccc(F)cc4C3)nc12.
What is the InChIKey of 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one?
The InChIKey is RFFVTXKYJOBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11-6-16(12(2)25)18-17(7-11)19(26)23(3)20(22-18)24-9-13-4-5-15(21)8-14(13)10-24/h4-8H,9-10H2,1-3H3.
What are the key properties of 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one?
8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one has a molecular weight of 351.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 170438361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).