(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one

C18H13FN2O2 — CID 25355031

IUPAC(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2ccc(-c3ccc(F)cc3)o2)Nc2ccccc21
InChIInChI=1S/C18H13FN2O2/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/h1-10,17,20H,(H,21,22)/t17-/m1/s1
InChIKeyVUZDXBLLOQUNIX-QGZVFWFLSA-N
MW308.31 g/mol
LogP3.94
Rot. Bonds2

About (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 25355031) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID25355031
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2ccc(-c3ccc(F)cc3)o2)Nc2ccccc21
InChIInChI=1S/C18H13FN2O2/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/h1-10,17,20H,(H,21,22)/t17-/m1/s1
InChIKeyVUZDXBLLOQUNIX-QGZVFWFLSA-N
XLogP3.94
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one (CID 25355031) is (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@H](c2ccc(-c3ccc(F)cc3)o2)Nc2ccccc21.
What is the InChIKey of (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is VUZDXBLLOQUNIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13FN2O2/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/h1-10,17,20H,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 308.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 25355031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).