1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one

C28H27N3O2 — CID 166223358

IUPAC1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
SMILESO=C(c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)N1CCC(N2CCCC2=O)C1
InChIInChI=1S/C28H27N3O2/c32-25-11-6-15-31(25)21-14-16-30(18-21)28(33)26-22-9-4-5-10-24(22)29-27-20(12-13-23(26)27)17-19-7-2-1-3-8-19/h1-5,7-10,17,21H,6,11-16,18H2/b20-17-
InChIKeyIXPQHZWFTGNKNW-JZJYNLBNSA-N
MW437.54 g/mol
LogP4.56
Rot. Bonds3

About 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one

1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one (PubChem CID 166223358) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
PubChem CID166223358
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
SMILESO=C(c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)N1CCC(N2CCCC2=O)C1
InChIInChI=1S/C28H27N3O2/c32-25-11-6-15-31(25)21-14-16-30(18-21)28(33)26-22-9-4-5-10-24(22)29-27-20(12-13-23(26)27)17-19-7-2-1-3-8-19/h1-5,7-10,17,21H,6,11-16,18H2/b20-17-
InChIKeyIXPQHZWFTGNKNW-JZJYNLBNSA-N
XLogP4.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-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-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one (CID 166223358) is 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one is O=C(c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)N1CCC(N2CCCC2=O)C1.
What is the InChIKey of 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
The InChIKey is IXPQHZWFTGNKNW-JZJYNLBNSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-25-11-6-15-31(25)21-14-16-30(18-21)28(33)26-22-9-4-5-10-24(22)29-27-20(12-13-23(26)27)17-19-7-2-1-3-8-19/h1-5,7-10,17,21H,6,11-16,18H2/b20-17-.
What are the key properties of 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one?
1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one has a molecular weight of 437.54 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 166223358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).