3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one

C21H27N3O2 — CID 131927078

IUPAC3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
SMILESCN(Cc1cc2ccccc2[nH]c1=O)CC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H27N3O2/c1-23(12-15-10-20(25)24(13-15)18-7-3-4-8-18)14-17-11-16-6-2-5-9-19(16)22-21(17)26/h2,5-6,9,11,15,18H,3-4,7-8,10,12-14H2,1H3,(H,22,26)
InChIKeyALEDBPOCMRTULE-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.75
Rot. Bonds5

About 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one

3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one (PubChem CID 131927078) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
PubChem CID131927078
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
SMILESCN(Cc1cc2ccccc2[nH]c1=O)CC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H27N3O2/c1-23(12-15-10-20(25)24(13-15)18-7-3-4-8-18)14-17-11-16-6-2-5-9-19(16)22-21(17)26/h2,5-6,9,11,15,18H,3-4,7-8,10,12-14H2,1H3,(H,22,26)
InChIKeyALEDBPOCMRTULE-UHFFFAOYSA-N
XLogP2.75
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 50968396
1-cyclopentyl-4-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]methyl]pyrrolidin-2-one
CID 91839192
(4R)-1-cyclopentyl-4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]pyrrolidin-2-one
CID 95121113
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
CID 128981506
(4S)-4-[[(3-cyclohexylimidazol-4-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 124849465
4-[[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 46993373
1-cyclopentyl-4-[[methyl-[(2-propan-2-ylpyrimidin-5-yl)methyl]amino]methyl]pyrrolidin-2-one
CID 74233085
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77097540
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024
2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide
CID 154565677
1-cyclopentyl-N-(1H-indol-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71935324
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one (CID 131927078) is 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one is CN(Cc1cc2ccccc2[nH]c1=O)CC1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is ALEDBPOCMRTULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23(12-15-10-20(25)24(13-15)18-7-3-4-8-18)14-17-11-16-6-2-5-9-19(16)22-21(17)26/h2,5-6,9,11,15,18H,3-4,7-8,10,12-14H2,1H3,(H,22,26).
What are the key properties of 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one?
3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 131927078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).