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

C21H17N3O3 — CID 6865892

IUPAC3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
SMILESCc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccco1
InChIInChI=1S/C21H17N3O3/c1-15-7-2-5-11-19(15)27-14-20-23-18-10-4-3-9-17(18)21(25)24(20)22-13-16-8-6-12-26-16/h2-13H,14H2,1H3/b22-13+
InChIKeyLEZDACODUDGNSE-LPYMAVHISA-N
MW359.39 g/mol
LogP3.76
Rot. Bonds5

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

3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one (PubChem CID 6865892) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
PubChem CID6865892
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
SMILESCc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccco1
InChIInChI=1S/C21H17N3O3/c1-15-7-2-5-11-19(15)27-14-20-23-18-10-4-3-9-17(18)21(25)24(20)22-13-16-8-6-12-26-16/h2-13H,14H2,1H3/b22-13+
InChIKeyLEZDACODUDGNSE-LPYMAVHISA-N
XLogP3.76
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.76
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-[(2-methylphenoxy)methyl]quinazolin-4-one?
The IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one (CID 6865892) is 3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one is Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccco1.
What is the InChIKey of 3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
The InChIKey is LEZDACODUDGNSE-LPYMAVHISA-N. The full InChI is InChI=1S/C21H17N3O3/c1-15-7-2-5-11-19(15)27-14-20-23-18-10-4-3-9-17(18)21(25)24(20)22-13-16-8-6-12-26-16/h2-13H,14H2,1H3/b22-13+.
What are the key properties of 3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
3-[(E)-furan-2-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one has a molecular weight of 359.39 g/mol, XLogP of 3.76, 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-[(2-methylphenoxy)methyl]quinazolin-4-one is sourced from PubChem (CID 6865892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).