3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one

C25H16FN3O2 — CID 126409974

IUPAC3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C25H16FN3O2/c26-19-12-10-17(11-13-19)23-15-14-20(31-23)16-27-29-24(18-6-2-1-3-7-18)28-22-9-5-4-8-21(22)25(29)30/h1-16H
InChIKeyOIIRPEPZPRRZRV-UHFFFAOYSA-N
MW409.42 g/mol
LogP5.34
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one

3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 126409974) has the molecular formula C25H16FN3O2 and a molecular weight of 409.42 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one
PubChem CID126409974
Molecular FormulaC25H16FN3O2
Molecular Weight409.42 g/mol
Exact Mass409.12
IUPAC Name3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C25H16FN3O2/c26-19-12-10-17(11-13-19)23-15-14-20(31-23)16-27-29-24(18-6-2-1-3-7-18)28-22-9-5-4-8-21(22)25(29)30/h1-16H
InChIKeyOIIRPEPZPRRZRV-UHFFFAOYSA-N
XLogP5.34
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 3886243
4-chloro-3-[5-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]furan-2-yl]benzoic acid
CID 3523901
ethyl 4-[5-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]furan-2-yl]benzoate
CID 126295559
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
4-[5-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]furan-2-yl]benzonitrile
CID 126303834
3-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126306983
3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409396
N-[4-[5-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]furan-2-yl]phenyl]sulfonylacetamide
CID 126297198
2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 126311906
ethyl 4-[5-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]furan-2-yl]benzoate
CID 126311611
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868
3-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126310726

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one (CID 126409974) is 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is OIIRPEPZPRRZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN3O2/c26-19-12-10-17(11-13-19)23-15-14-20(31-23)16-27-29-24(18-6-2-1-3-7-18)28-22-9-5-4-8-21(22)25(29)30/h1-16H.
What are the key properties of 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one?
3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 409.42 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 126409974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).