3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one

C24H17N3O3 — CID 44822286

IUPAC3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(COc2cccc3ccccc23)n1/N=C/c1ccco1
InChIInChI=1S/C24H17N3O3/c28-24-20-11-3-4-12-21(20)26-23(27(24)25-15-18-9-6-14-29-18)16-30-22-13-5-8-17-7-1-2-10-19(17)22/h1-15H,16H2/b25-15+
InChIKeyHEDYNEYXMHMMON-MFKUBSTISA-N
MW395.42 g/mol
LogP4.60
Rot. Bonds5

About 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one

3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one (PubChem CID 44822286) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one
PubChem CID44822286
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(COc2cccc3ccccc23)n1/N=C/c1ccco1
InChIInChI=1S/C24H17N3O3/c28-24-20-11-3-4-12-21(20)26-23(27(24)25-15-18-9-6-14-29-18)16-30-22-13-5-8-17-7-1-2-10-19(17)22/h1-15H,16H2/b25-15+
InChIKeyHEDYNEYXMHMMON-MFKUBSTISA-N
XLogP4.60
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135549874
2-[(2-methylphenoxy)methyl]-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one
CID 6901031
3-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
CID 136877458
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 6863529
3-[(E)-1H-indol-3-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135517049
3-[(3,4-dihydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 1388574
3-[(E)-benzylideneamino]-2-(bromomethyl)quinazolin-4-one
CID 25197636
2-(phenoxymethyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 1385382
3-[(E)-anthracen-9-ylmethylideneamino]-2-(furan-2-yl)quinazolin-4-one
CID 53306078
2-[(E)-furan-2-ylmethylideneamino]-1,2-benzothiazol-3-one
CID 10538245
17-[(E)-furan-2-ylmethylideneamino]-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 6889988
3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406359

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one?
The IUPAC name of 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one (CID 44822286) is 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one.
What is the SMILES notation for 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one?
The canonical SMILES for 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one is O=c1c2ccccc2nc(COc2cccc3ccccc23)n1/N=C/c1ccco1.
What is the InChIKey of 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one?
The InChIKey is HEDYNEYXMHMMON-MFKUBSTISA-N. The full InChI is InChI=1S/C24H17N3O3/c28-24-20-11-3-4-12-21(20)26-23(27(24)25-15-18-9-6-14-29-18)16-30-22-13-5-8-17-7-1-2-10-19(17)22/h1-15H,16H2/b25-15+.
What are the key properties of 3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one?
3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one has a molecular weight of 395.42 g/mol, XLogP of 4.60, 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-(naphthalen-1-yloxymethyl)quinazolin-4-one is sourced from PubChem (CID 44822286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).