2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one

C18H11FN2O2 — CID 135925188

IUPAC2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12
InChIInChI=1S/C18H11FN2O2/c19-12-7-5-11(6-8-12)15-9-10-16(23-15)17-20-14-4-2-1-3-13(14)18(22)21-17/h1-10H,(H,20,21,22)
InChIKeySILJGMLSMLWZMO-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.99
Rot. Bonds2

About 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one

2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one (PubChem CID 135925188) has the molecular formula C18H11FN2O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one
PubChem CID135925188
Molecular FormulaC18H11FN2O2
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12
InChIInChI=1S/C18H11FN2O2/c19-12-7-5-11(6-8-12)15-9-10-16(23-15)17-20-14-4-2-1-3-13(14)18(22)21-17/h1-10H,(H,20,21,22)
InChIKeySILJGMLSMLWZMO-UHFFFAOYSA-N
XLogP3.99
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one (CID 135925188) is 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12.
What is the InChIKey of 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one?
The InChIKey is SILJGMLSMLWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2/c19-12-7-5-11(6-8-12)15-9-10-16(23-15)17-20-14-4-2-1-3-13(14)18(22)21-17/h1-10H,(H,20,21,22).
What are the key properties of 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one?
2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one has a molecular weight of 306.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135925188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).