1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione

C19H17Cl2N3O2S — CID 2948577

IUPAC1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESCc1nc(SC2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)nc2c1CCCC2
InChIInChI=1S/C19H17Cl2N3O2S/c1-10-14-4-2-3-5-15(14)23-19(22-10)27-16-9-17(25)24(18(16)26)13-7-11(20)6-12(21)8-13/h6-8,16H,2-5,9H2,1H3
InChIKeySFEXHUBSUXZKPE-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.39
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione

1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione (PubChem CID 2948577) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
PubChem CID2948577
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
SMILESCc1nc(SC2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)nc2c1CCCC2
InChIInChI=1S/C19H17Cl2N3O2S/c1-10-14-4-2-3-5-15(14)23-19(22-10)27-16-9-17(25)24(18(16)26)13-7-11(20)6-12(21)8-13/h6-8,16H,2-5,9H2,1H3
InChIKeySFEXHUBSUXZKPE-UHFFFAOYSA-N
XLogP4.39
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.39
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-Chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 2904993
3-[(4-Methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 662424
3-[(4-Methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 2948674
3-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 5113004
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 3282124
1-(3-Methylphenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 662993
3-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 2905133
2-(2,6-Dichlorophenyl)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)thiazolidin-4-one
CID 16728906
3-[(6-Chloro-4-phenyl-2-quinazolinyl)sulfanyl]-1-(4-fluorophenyl)-2,5-pyrrolidinedione
CID 2945604
1-(3-Chloro-4-methylphenyl)-3-(4,7-dimethylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 2904634
N-(3,5-dichlorophenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 3145592

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione (CID 2948577) is 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione is Cc1nc(SC2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)nc2c1CCCC2.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione?
The InChIKey is SFEXHUBSUXZKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-10-14-4-2-3-5-15(14)23-19(22-10)27-16-9-17(25)24(18(16)26)13-7-11(20)6-12(21)8-13/h6-8,16H,2-5,9H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione?
1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione has a molecular weight of 422.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2948577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).