3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione

C25H18ClN3O2S — CID 2905133

IUPAC3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C2=O)c1
InChIInChI=1S/C25H18ClN3O2S/c1-15-6-5-9-18(12-15)29-22(30)14-21(24(29)31)32-25-27-20-11-10-17(26)13-19(20)23(28-25)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3
InChIKeyQZJCQQXCVVTYSB-UHFFFAOYSA-N
MW459.96 g/mol
LogP5.68
Rot. Bonds4

About 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione

3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2905133) has the molecular formula C25H18ClN3O2S and a molecular weight of 459.96 g/mol. Its IUPAC name is 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2905133
Molecular FormulaC25H18ClN3O2S
Molecular Weight459.96 g/mol
Exact Mass459.08
IUPAC Name3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C2=O)c1
InChIInChI=1S/C25H18ClN3O2S/c1-15-6-5-9-18(12-15)29-22(30)14-21(24(29)31)32-25-27-20-11-10-17(26)13-19(20)23(28-25)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3
InChIKeyQZJCQQXCVVTYSB-UHFFFAOYSA-N
XLogP5.68
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-Methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 662424
6-Chloro-4-phenyl-2-(prop-2-enylthio)quinazoline
CID 1925990
1-(3,5-Dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2948577
3-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 5113004
6-Chloro-2-(ethylsulfanyl)-4-phenylquinazoline
CID 751838
1-(3-Methylphenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 662993
N-[3-[[2-[4-(4-chloroanilino)quinazolin-2-yl]sulfanylacetyl]amino]phenyl]prop-2-enamide
CID 164620268
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 164623733
3-[(6-Chloro-4-phenyl-2-quinazolinyl)sulfanyl]-1-(4-fluorophenyl)-2,5-pyrrolidinedione
CID 2945604
2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 46934534
2-[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 46934536
1-(4-Fluorophenyl)-3-[(4,6,7-trimethyl-2-quinazolinyl)sulfanyl]-2,5-pyrrolidinedione
CID 2946038

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 2905133) is 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C2=O)c1.
What is the InChIKey of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is QZJCQQXCVVTYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O2S/c1-15-6-5-9-18(12-15)29-22(30)14-21(24(29)31)32-25-27-20-11-10-17(26)13-19(20)23(28-25)16-7-3-2-4-8-16/h2-13,21H,14H2,1H3.
What are the key properties of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 459.96 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2905133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).