2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide

C21H26N4O2 — CID 154565677

IUPAC2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)c1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C21H26N4O2/c1-24(12-14-10-20(26)25(13-14)15-6-2-3-7-15)19-11-17(21(22)27)16-8-4-5-9-18(16)23-19/h4-5,8-9,11,14-15H,2-3,6-7,10,12-13H2,1H3,(H2,22,27)
InChIKeyOVBRYKNZORVKQG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.56
Rot. Bonds5

About 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide

2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide (PubChem CID 154565677) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide
PubChem CID154565677
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)c1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C21H26N4O2/c1-24(12-14-10-20(26)25(13-14)15-6-2-3-7-15)19-11-17(21(22)27)16-8-4-5-9-18(16)23-19/h4-5,8-9,11,14-15H,2-3,6-7,10,12-13H2,1H3,(H2,22,27)
InChIKeyOVBRYKNZORVKQG-UHFFFAOYSA-N
XLogP2.56
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-4-[[methyl(quinazolin-4-yl)amino]methyl]pyrrolidin-2-one
CID 135096336
4-[[(6-aminopyrazin-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 146039012
(4S)-1-cyclopentyl-4-[[(4,6-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-2-one
CID 95122565
[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
CID 63631449
4-[[(5-amino-1,3,4-thiadiazol-2-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 154564572
1-cyclopentyl-4-[[methyl-(4,5,6-trimethylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 163314892
2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbothioamide
CID 63886121
2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide
CID 146045781
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
CID 131927078
2-[cyclohexyl(methyl)amino]quinoline-4-carbothioamide
CID 63885147
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 126448423

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide?
The IUPAC name of 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide (CID 154565677) is 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide?
The canonical SMILES for 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide is CN(CC1CC(=O)N(C2CCCC2)C1)c1cc(C(N)=O)c2ccccc2n1.
What is the InChIKey of 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide?
The InChIKey is OVBRYKNZORVKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(12-14-10-20(26)25(13-14)15-6-2-3-7-15)19-11-17(21(22)27)16-8-4-5-9-18(16)23-19/h4-5,8-9,11,14-15H,2-3,6-7,10,12-13H2,1H3,(H2,22,27).
What are the key properties of 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide?
2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide is sourced from PubChem (CID 154565677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).