1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione

C20H19ClN2O2 — CID 2984605

IUPAC1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)CC(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C20H19ClN2O2/c1-13-15(21)8-4-10-16(13)23-19(24)12-18(20(23)25)22-11-5-7-14-6-2-3-9-17(14)22/h2-4,6,8-10,18H,5,7,11-12H2,1H3
InChIKeyBRTGXSOOBWIDTB-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.73
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione

1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2984605) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
PubChem CID2984605
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)CC(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C20H19ClN2O2/c1-13-15(21)8-4-10-16(13)23-19(24)12-18(20(23)25)22-11-5-7-14-6-2-3-9-17(14)22/h2-4,6,8-10,18H,5,7,11-12H2,1H3
InChIKeyBRTGXSOOBWIDTB-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione (CID 2984605) is 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione is Cc1c(Cl)cccc1N1C(=O)CC(N2CCCc3ccccc32)C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is BRTGXSOOBWIDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13-15(21)8-4-10-16(13)23-19(24)12-18(20(23)25)22-11-5-7-14-6-2-3-9-17(14)22/h2-4,6,8-10,18H,5,7,11-12H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 354.84 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2984605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).