3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

C27H23N3O2S — CID 2905179

IUPAC3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4ccccc4n3)C2=O)cc1
InChIInChI=1S/C27H23N3O2S/c1-17(2)18-12-14-20(15-13-18)30-24(31)16-23(26(30)32)33-27-28-22-11-7-6-10-21(22)25(29-27)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3
InChIKeyYJWUWMQIURGNJV-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.84
Rot. Bonds5

About 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione (PubChem CID 2905179) has the molecular formula C27H23N3O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
PubChem CID2905179
Molecular FormulaC27H23N3O2S
Molecular Weight453.57 g/mol
Exact Mass453.15
IUPAC Name3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4ccccc4n3)C2=O)cc1
InChIInChI=1S/C27H23N3O2S/c1-17(2)18-12-14-20(15-13-18)30-24(31)16-23(26(30)32)33-27-28-22-11-7-6-10-21(22)25(29-27)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3
InChIKeyYJWUWMQIURGNJV-UHFFFAOYSA-N
XLogP5.84
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2889774
1-(4-Isopropyl-phenyl)-3-(pyrimidin-2-ylsulfanyl)-pyrrolidine-2,5-dione
CID 2931560
1-(3,4-Dimethylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 3550987
3-[(4-Methylpyrimidin-2-yl)sulfanyl]-1-[4-(propan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 3838402
3-[(4-Methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 662424
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylbutanamide
CID 2914369
3-[(4-Methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 2948674
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 3221488
N-benzyl-2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
CID 4390753
3-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 5113004
1-(2-Ethylphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 3144303
2-[(4,6-Dimethylquinazolin-2-yl)sulfanyl]-1,2-diphenylethanone
CID 3746558

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione (CID 2905179) is 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione is CC(C)c1ccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4ccccc4n3)C2=O)cc1.
What is the InChIKey of 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The InChIKey is YJWUWMQIURGNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2S/c1-17(2)18-12-14-20(15-13-18)30-24(31)16-23(26(30)32)33-27-28-22-11-7-6-10-21(22)25(29-27)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3.
What are the key properties of 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione has a molecular weight of 453.57 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylquinazolin-2-yl)sulfanyl-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2905179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).