3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one

C17H12F2N2O3 — CID 7628255

IUPAC3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12F2N2O3/c18-17(19)24-12-7-5-11(6-8-12)15(22)9-21-10-20-14-4-2-1-3-13(14)16(21)23/h1-8,10,17H,9H2
InChIKeyGSIGCRWWQCCJNZ-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.88
Rot. Bonds5

About 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one

3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one (PubChem CID 7628255) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one
PubChem CID7628255
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12F2N2O3/c18-17(19)24-12-7-5-11(6-8-12)15(22)9-21-10-20-14-4-2-1-3-13(14)16(21)23/h1-8,10,17H,9H2
InChIKeyGSIGCRWWQCCJNZ-UHFFFAOYSA-N
XLogP2.88
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one (CID 7628255) is 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is GSIGCRWWQCCJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c18-17(19)24-12-7-5-11(6-8-12)15(22)9-21-10-20-14-4-2-1-3-13(14)16(21)23/h1-8,10,17H,9H2.
What are the key properties of 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one?
3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 330.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7628255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).