3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one

C21H16N2O2 — CID 5346540

IUPAC3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccco2)n1Cc1ccccc1
InChIInChI=1S/C21H16N2O2/c24-21-18-10-4-5-11-19(18)22-20(13-12-17-9-6-14-25-17)23(21)15-16-7-2-1-3-8-16/h1-14H,15H2/b13-12+
InChIKeyXUJVCGGPPAVHEV-OUKQBFOZSA-N
MW328.37 g/mol
LogP4.21
Rot. Bonds4

About 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one

3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one (PubChem CID 5346540) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
PubChem CID5346540
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccco2)n1Cc1ccccc1
InChIInChI=1S/C21H16N2O2/c24-21-18-10-4-5-11-19(18)22-20(13-12-17-9-6-14-25-17)23(21)15-16-7-2-1-3-8-16/h1-14H,15H2/b13-12+
InChIKeyXUJVCGGPPAVHEV-OUKQBFOZSA-N
XLogP4.21
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one (CID 5346540) is 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2ccco2)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one?
The InChIKey is XUJVCGGPPAVHEV-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21-18-10-4-5-11-19(18)22-20(13-12-17-9-6-14-25-17)23(21)15-16-7-2-1-3-8-16/h1-14H,15H2/b13-12+.
What are the key properties of 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one?
3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 5346540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).