6-phenoxy-2-phenyl-3H-quinazolin-4-one

C20H14N2O2 — CID 166196696

IUPAC6-phenoxy-2-phenyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C20H14N2O2/c23-20-17-13-16(24-15-9-5-2-6-10-15)11-12-18(17)21-19(22-20)14-7-3-1-4-8-14/h1-13H,(H,21,22,23)
InChIKeyJYYPAUNCYBYOGV-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.38
Rot. Bonds3

About 6-phenoxy-2-phenyl-3H-quinazolin-4-one

6-phenoxy-2-phenyl-3H-quinazolin-4-one (PubChem CID 166196696) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6-phenoxy-2-phenyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-phenoxy-2-phenyl-3H-quinazolin-4-one
PubChem CID166196696
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name6-phenoxy-2-phenyl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C20H14N2O2/c23-20-17-13-16(24-15-9-5-2-6-10-15)11-12-18(17)21-19(22-20)14-7-3-1-4-8-14/h1-13H,(H,21,22,23)
InChIKeyJYYPAUNCYBYOGV-UHFFFAOYSA-N
XLogP4.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-2-phenyl-3H-quinazolin-4-one?
The IUPAC name of 6-phenoxy-2-phenyl-3H-quinazolin-4-one (CID 166196696) is 6-phenoxy-2-phenyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-phenoxy-2-phenyl-3H-quinazolin-4-one?
The canonical SMILES for 6-phenoxy-2-phenyl-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2)nc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 6-phenoxy-2-phenyl-3H-quinazolin-4-one?
The InChIKey is JYYPAUNCYBYOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20-17-13-16(24-15-9-5-2-6-10-15)11-12-18(17)21-19(22-20)14-7-3-1-4-8-14/h1-13H,(H,21,22,23).
What are the key properties of 6-phenoxy-2-phenyl-3H-quinazolin-4-one?
6-phenoxy-2-phenyl-3H-quinazolin-4-one has a molecular weight of 314.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-2-phenyl-3H-quinazolin-4-one is sourced from PubChem (CID 166196696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).