2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one

C14H12FN3O — CID 57388816

IUPAC2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3cccc(F)c3)ncc21
InChIInChI=1S/C14H12FN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)
InChIKeyLVYJLMJHJOEADD-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one

2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 57388816) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID57388816
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Nc3cccc(F)c3)ncc21
InChIInChI=1S/C14H12FN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)
InChIKeyLVYJLMJHJOEADD-UHFFFAOYSA-N
XLogP2.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one (CID 57388816) is 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(Nc3cccc(F)c3)ncc21.
What is the InChIKey of 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LVYJLMJHJOEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18).
What are the key properties of 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one?
2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 257.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 57388816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).