3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one

C20H15N3O3 — CID 6884238

IUPAC3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccco1
InChIInChI=1S/C20H15N3O3/c24-20-17-10-4-5-11-18(17)22-19(14-26-15-7-2-1-3-8-15)23(20)21-13-16-9-6-12-25-16/h1-13H,14H2/b21-13+
InChIKeyLJRVFXVUJFBHJY-FYJGNVAPSA-N
MW345.36 g/mol
LogP3.45
Rot. Bonds5

About 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one

3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one (PubChem CID 6884238) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one
PubChem CID6884238
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccco1
InChIInChI=1S/C20H15N3O3/c24-20-17-10-4-5-11-18(17)22-19(14-26-15-7-2-1-3-8-15)23(20)21-13-16-9-6-12-25-16/h1-13H,14H2/b21-13+
InChIKeyLJRVFXVUJFBHJY-FYJGNVAPSA-N
XLogP3.45
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one?
The IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one (CID 6884238) is 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one.
What is the SMILES notation for 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one?
The canonical SMILES for 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one is O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccco1.
What is the InChIKey of 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one?
The InChIKey is LJRVFXVUJFBHJY-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-20-17-10-4-5-11-18(17)22-19(14-26-15-7-2-1-3-8-15)23(20)21-13-16-9-6-12-25-16/h1-13H,14H2/b21-13+.
What are the key properties of 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one?
3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one has a molecular weight of 345.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-furan-2-ylmethylideneamino]-2-(phenoxymethyl)quinazolin-4-one is sourced from PubChem (CID 6884238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).