2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one

C27H19N3OS — CID 3949629

IUPAC2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C27H19N3OS/c31-27-23-16-8-9-17-24(23)29-26(20-11-3-1-4-12-20)30(27)28-19-21-13-7-10-18-25(21)32-22-14-5-2-6-15-22/h1-19H
InChIKeyAZLGPXAVDFYZLD-UHFFFAOYSA-N
MW433.54 g/mol
LogP6.10
Rot. Bonds5

About 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one

2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one (PubChem CID 3949629) has the molecular formula C27H19N3OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
PubChem CID3949629
Molecular FormulaC27H19N3OS
Molecular Weight433.54 g/mol
Exact Mass433.12
IUPAC Name2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C27H19N3OS/c31-27-23-16-8-9-17-24(23)29-26(20-11-3-1-4-12-20)30(27)28-19-21-13-7-10-18-25(21)32-22-14-5-2-6-15-22/h1-19H
InChIKeyAZLGPXAVDFYZLD-UHFFFAOYSA-N
XLogP6.10
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.54
LogP ≤ 56.10
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
2-(5-chloro-1-benzofuran-2-yl)-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 126292185
3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405167
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 126294577
methyl (2S)-2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]propanoate
CID 126408432
3-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 137058322
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135452571
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868
methyl 2-[2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 126409391
3-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 5159761
3-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5126923

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one (CID 3949629) is 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is AZLGPXAVDFYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3OS/c31-27-23-16-8-9-17-24(23)29-26(20-11-3-1-4-12-20)30(27)28-19-21-13-7-10-18-25(21)32-22-14-5-2-6-15-22/h1-19H.
What are the key properties of 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one?
2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 433.54 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 3949629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).