2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one

C25H17N3O2S — CID 3886243

IUPAC2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Sc2ccccc2)o1
InChIInChI=1S/C25H17N3O2S/c29-25-21-13-7-8-14-22(21)27-24(18-9-3-1-4-10-18)28(25)26-17-19-15-16-23(30-19)31-20-11-5-2-6-12-20/h1-17H
InChIKeySFBJKYIMINFIQZ-UHFFFAOYSA-N
MW423.50 g/mol
LogP5.69
Rot. Bonds5

About 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one

2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one (PubChem CID 3886243) has the molecular formula C25H17N3O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
PubChem CID3886243
Molecular FormulaC25H17N3O2S
Molecular Weight423.50 g/mol
Exact Mass423.10
IUPAC Name2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Sc2ccccc2)o1
InChIInChI=1S/C25H17N3O2S/c29-25-21-13-7-8-14-22(21)27-24(18-9-3-1-4-10-18)28(25)26-17-19-15-16-23(30-19)31-20-11-5-2-6-12-20/h1-17H
InChIKeySFBJKYIMINFIQZ-UHFFFAOYSA-N
XLogP5.69
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.69
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-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126310726
2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 3949629
3-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409974
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]quinazolin-4-one
CID 126286727
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 23738244
4-chloro-3-[5-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]furan-2-yl]benzoic acid
CID 3523901
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868
2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 126311906
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
3-(cinnamylideneamino)-2-phenylquinazolin-4-one
CID 4019443
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one (CID 3886243) is 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Sc2ccccc2)o1.
What is the InChIKey of 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one?
The InChIKey is SFBJKYIMINFIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2S/c29-25-21-13-7-8-14-22(21)27-24(18-9-3-1-4-10-18)28(25)26-17-19-15-16-23(30-19)31-20-11-5-2-6-12-20/h1-17H.
What are the key properties of 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one?
2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one has a molecular weight of 423.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 3886243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).