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

C26H20ClN3O2S — CID 5113004

IUPAC3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C2=O)c(C)c1
InChIInChI=1S/C26H20ClN3O2S/c1-15-8-11-21(16(2)12-15)30-23(31)14-22(25(30)32)33-26-28-20-10-9-18(27)13-19(20)24(29-26)17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3
InChIKeyGOGMNEZMKOGPJX-UHFFFAOYSA-N
MW473.99 g/mol
LogP5.99
Rot. Bonds4

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

3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 5113004) has the molecular formula C26H20ClN3O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID5113004
Molecular FormulaC26H20ClN3O2S
Molecular Weight473.99 g/mol
Exact Mass473.10
IUPAC Name3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C2=O)c(C)c1
InChIInChI=1S/C26H20ClN3O2S/c1-15-8-11-21(16(2)12-15)30-23(31)14-22(25(30)32)33-26-28-20-10-9-18(27)13-19(20)24(29-26)17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3
InChIKeyGOGMNEZMKOGPJX-UHFFFAOYSA-N
XLogP5.99
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 55.99
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-Methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 662424
1-(3,5-Dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2948577
6-Chloro-2-(ethylsulfanyl)-4-phenylquinazoline
CID 751838
3-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 2905133
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
Ethyl 2-(6-chloro-4-phenylquinazolin-2-ylthio)acetate
CID 1346311
1-(3-Chloro-4-methylphenyl)-3-(4,7-dimethylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 2904634
2-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one
CID 16644551

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione (CID 5113004) is 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(Sc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)C2=O)c(C)c1.
What is the InChIKey of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is GOGMNEZMKOGPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2S/c1-15-8-11-21(16(2)12-15)30-23(31)14-22(25(30)32)33-26-28-20-10-9-18(27)13-19(20)24(29-26)17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3.
What are the key properties of 3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione?
3-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 473.99 g/mol, XLogP of 5.99, 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-(2,4-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 5113004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).