(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione

C25H19N3O4S — CID 1332861

IUPAC(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4c(=O)n3-c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H19N3O4S/c1-32-18-13-11-17(12-14-18)27-22(29)15-21(24(27)31)33-25-26-20-10-6-5-9-19(20)23(30)28(25)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3/t21-/m1/s1
InChIKeyFHHBFQAUZBJUDP-OAQYLSRUSA-N
MW457.51 g/mol
LogP3.82
Rot. Bonds5

About (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione

(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 1332861) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID1332861
Molecular FormulaC25H19N3O4S
Molecular Weight457.51 g/mol
Exact Mass457.11
IUPAC Name(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4c(=O)n3-c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H19N3O4S/c1-32-18-13-11-17(12-14-18)27-22(29)15-21(24(27)31)33-25-26-20-10-6-5-9-19(20)23(30)28(25)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3/t21-/m1/s1
InChIKeyFHHBFQAUZBJUDP-OAQYLSRUSA-N
XLogP3.82
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione with MolForge

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Related Compounds

3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585
3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 43832746
3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 43832795
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
(3S)-3-(3-aminophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98470653
(3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one
CID 7041360
N-[4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylphenyl]-4-methoxybenzamide
CID 22779670
3-[4-(difluoromethoxy)phenyl]-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 7222179
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2888938
(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 2059029

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione (CID 1332861) is (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4c(=O)n3-c3ccccc3)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is FHHBFQAUZBJUDP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-32-18-13-11-17(12-14-18)27-22(29)15-21(24(27)31)33-25-26-20-10-6-5-9-19(20)23(30)28(25)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione?
(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 457.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 1332861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).