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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-(furan-2-yl)ethenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 47075577
2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47075581
3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 42915048
3-benzyl-2-[(E)-2-phenylethenyl]-1,2-dihydroquinazolin-4-one
CID 102278976
2-[4-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54780086
2-[(2E,4E)-5-(furan-2-yl)penta-2,4-dienyl]isoindole-1,3-dione
CID 14395653
(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 92787600
2-(furan-2-yl)-3-(2-methylpropyl)-1,2-dihydroquinazolin-4-one
CID 47105721
2-[2-(5-ethenyloxolan-2-yl)ethenyl]furan
CID 123575076
(5S)-5-[(Z)-2-(furan-2-yl)ethenyl]pyrrolidin-2-one
CID 131234360
5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1279205
2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 26638727

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).