2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C18H14FN3O2 — CID 665489

IUPAC2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccco2)Cc2nc(Nc3ccc(F)cc3)ncc21
InChIInChI=1S/C18H14FN3O2/c19-12-3-5-13(6-4-12)21-18-20-10-14-15(22-18)8-11(9-16(14)23)17-2-1-7-24-17/h1-7,10-11H,8-9H2,(H,20,21,22)
InChIKeyAZLJIZJEUGZCCO-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665489) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665489
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2ccco2)Cc2nc(Nc3ccc(F)cc3)ncc21
InChIInChI=1S/C18H14FN3O2/c19-12-3-5-13(6-4-12)21-18-20-10-14-15(22-18)8-11(9-16(14)23)17-2-1-7-24-17/h1-7,10-11H,8-9H2,(H,20,21,22)
InChIKeyAZLJIZJEUGZCCO-UHFFFAOYSA-N
XLogP3.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 665489) is 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2ccco2)Cc2nc(Nc3ccc(F)cc3)ncc21.
What is the InChIKey of 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is AZLJIZJEUGZCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-12-3-5-13(6-4-12)21-18-20-10-14-15(22-18)8-11(9-16(14)23)17-2-1-7-24-17/h1-7,10-11H,8-9H2,(H,20,21,22).
What are the key properties of 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 323.33 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).