3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione

C22H20Cl2N2O2 — CID 110568157

IUPAC3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C22H20Cl2N2O2/c1-2-11-26-21(27)19(16-10-9-15(23)13-17(16)24)20(22(26)28)25-12-5-7-14-6-3-4-8-18(14)25/h3-4,6,8-10,13H,2,5,7,11-12H2,1H3
InChIKeyAMIYBEDWKFMFKA-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.94
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione (PubChem CID 110568157) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione
PubChem CID110568157
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C22H20Cl2N2O2/c1-2-11-26-21(27)19(16-10-9-15(23)13-17(16)24)20(22(26)28)25-12-5-7-14-6-3-4-8-18(14)25/h3-4,6,8-10,13H,2,5,7,11-12H2,1H3
InChIKeyAMIYBEDWKFMFKA-UHFFFAOYSA-N
XLogP4.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-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-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110568553
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110548869
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-hexylpyrrole-2,5-dione
CID 110578990
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568143
1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560027
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-nitrophenyl)-1-propylpyrrole-2,5-dione
CID 110541325
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110578060
3-(3,4-dihydro-2H-quinolin-1-yl)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566334
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
1-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546556
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110548908

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione (CID 110568157) is 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCCc3ccccc32)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione?
The InChIKey is AMIYBEDWKFMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-2-11-26-21(27)19(16-10-9-15(23)13-17(16)24)20(22(26)28)25-12-5-7-14-6-3-4-8-18(14)25/h3-4,6,8-10,13H,2,5,7,11-12H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione has a molecular weight of 415.32 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110568157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).