2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

C17H16N2O2 — CID 47075576

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2NC1/C=C/c1ccco1
InChIInChI=1S/C17H16N2O2/c1-2-11-19-16(10-9-13-6-5-12-21-13)18-15-8-4-3-7-14(15)17(19)20/h2-10,12,16,18H,1,11H2/b10-9+
InChIKeyJLFLGTFSIFIMLD-MDZDMXLPSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds4

About 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one

2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one (PubChem CID 47075576) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
PubChem CID47075576
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2NC1/C=C/c1ccco1
InChIInChI=1S/C17H16N2O2/c1-2-11-19-16(10-9-13-6-5-12-21-13)18-15-8-4-3-7-14(15)17(19)20/h2-10,12,16,18H,1,11H2/b10-9+
InChIKeyJLFLGTFSIFIMLD-MDZDMXLPSA-N
XLogP3.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one (CID 47075576) is 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one is C=CCN1C(=O)c2ccccc2NC1/C=C/c1ccco1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
The InChIKey is JLFLGTFSIFIMLD-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-11-19-16(10-9-13-6-5-12-21-13)18-15-8-4-3-7-14(15)17(19)20/h2-10,12,16,18H,1,11H2/b10-9+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one?
2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 47075576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).