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

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Related Compounds

[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56575832
1-[(3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808180
3-benzylidene-N-(1-carbamoylpiperidin-4-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 103599408
4-[3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]morpholine-2-carboxamide
CID 76878568
[(3Z)-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56575803
(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 8863644
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
ethyl 1-[(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carbonyl]piperidine-3-carboxylate
CID 46549344
4-(4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl)-1,4-diazepane-1-carboxamide
CID 72687319
2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one
CID 46338440
4-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]morpholine-2-carboxamide
CID 60607188
(2-oxo-2-pyrrolidin-1-ylethyl) (3E)-3-[(4-tert-butylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6522887

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).