1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one

C20H20Cl2N2O — CID 155811330

IUPAC1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C20H20Cl2N2O/c21-15-5-3-14(4-6-15)13-23-11-9-19(24-10-1-2-20(24)25)17-12-16(22)7-8-18(17)23/h3-8,12,19H,1-2,9-11,13H2
InChIKeyCNLZOYZHOKZVTJ-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.07
Rot. Bonds3

About 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one

1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one (PubChem CID 155811330) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one
PubChem CID155811330
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C20H20Cl2N2O/c21-15-5-3-14(4-6-15)13-23-11-9-19(24-10-1-2-20(24)25)17-12-16(22)7-8-18(17)23/h3-8,12,19H,1-2,9-11,13H2
InChIKeyCNLZOYZHOKZVTJ-UHFFFAOYSA-N
XLogP5.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one 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-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one (CID 155811330) is 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one?
The InChIKey is CNLZOYZHOKZVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-15-5-3-14(4-6-15)13-23-11-9-19(24-10-1-2-20(24)25)17-12-16(22)7-8-18(17)23/h3-8,12,19H,1-2,9-11,13H2.
What are the key properties of 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one?
1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one has a molecular weight of 375.30 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 155811330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).