3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one

C20H19N3O3 — CID 56964195

IUPAC3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/C(=C/c1ccco1)C(=O)N1CCCC1
InChIInChI=1S/C20H19N3O3/c1-14-21-17-9-3-2-8-16(17)19(24)23(14)18(13-15-7-6-12-26-15)20(25)22-10-4-5-11-22/h2-3,6-9,12-13H,4-5,10-11H2,1H3/b18-13+
InChIKeyKXBBJTXHXDQPPF-QGOAFFKASA-N
MW349.39 g/mol
LogP2.92
Rot. Bonds3

About 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one

3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one (PubChem CID 56964195) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one
PubChem CID56964195
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/C(=C/c1ccco1)C(=O)N1CCCC1
InChIInChI=1S/C20H19N3O3/c1-14-21-17-9-3-2-8-16(17)19(24)23(14)18(13-15-7-6-12-26-15)20(25)22-10-4-5-11-22/h2-3,6-9,12-13H,4-5,10-11H2,1H3/b18-13+
InChIKeyKXBBJTXHXDQPPF-QGOAFFKASA-N
XLogP2.92
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one (CID 56964195) is 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1/C(=C/c1ccco1)C(=O)N1CCCC1.
What is the InChIKey of 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one?
The InChIKey is KXBBJTXHXDQPPF-QGOAFFKASA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-21-17-9-3-2-8-16(17)19(24)23(14)18(13-15-7-6-12-26-15)20(25)22-10-4-5-11-22/h2-3,6-9,12-13H,4-5,10-11H2,1H3/b18-13+.
What are the key properties of 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one?
3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one has a molecular weight of 349.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one is sourced from PubChem (CID 56964195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).