6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one

C16H13FN2O2 — CID 155527059

IUPAC6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
SMILESCc1cc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc(C)c1O
InChIInChI=1S/C16H13FN2O2/c1-8-5-10(6-9(2)14(8)20)15-18-13-4-3-11(17)7-12(13)16(21)19-15/h3-7,20H,1-2H3,(H,18,19,21)
InChIKeyYUUVWHXJRBBQES-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.05
Rot. Bonds1

About 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one

6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one (PubChem CID 155527059) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
PubChem CID155527059
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
SMILESCc1cc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc(C)c1O
InChIInChI=1S/C16H13FN2O2/c1-8-5-10(6-9(2)14(8)20)15-18-13-4-3-11(17)7-12(13)16(21)19-15/h3-7,20H,1-2H3,(H,18,19,21)
InChIKeyYUUVWHXJRBBQES-UHFFFAOYSA-N
XLogP3.05
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one (CID 155527059) is 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one is Cc1cc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc(C)c1O.
What is the InChIKey of 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
The InChIKey is YUUVWHXJRBBQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-8-5-10(6-9(2)14(8)20)15-18-13-4-3-11(17)7-12(13)16(21)19-15/h3-7,20H,1-2H3,(H,18,19,21).
What are the key properties of 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one?
6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one has a molecular weight of 284.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-hydroxy-3,5-dimethylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 155527059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).