1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

C22H28N4O3 — CID 46955386

IUPAC1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
SMILESNc1cc2ccccc2nc1C1CCN(C(=O)COCCN2CCCC2=O)CC1
InChIInChI=1S/C22H28N4O3/c23-18-14-17-4-1-2-5-19(17)24-22(18)16-7-10-26(11-8-16)21(28)15-29-13-12-25-9-3-6-20(25)27/h1-2,4-5,14,16H,3,6-13,15,23H2
InChIKeyOPQGNXJWQMVBDG-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.16
Rot. Bonds6

About 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one

1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one (PubChem CID 46955386) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
PubChem CID46955386
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
SMILESNc1cc2ccccc2nc1C1CCN(C(=O)COCCN2CCCC2=O)CC1
InChIInChI=1S/C22H28N4O3/c23-18-14-17-4-1-2-5-19(17)24-22(18)16-7-10-26(11-8-16)21(28)15-29-13-12-25-9-3-6-20(25)27/h1-2,4-5,14,16H,3,6-13,15,23H2
InChIKeyOPQGNXJWQMVBDG-UHFFFAOYSA-N
XLogP2.16
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[(3R)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834632
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583939
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
CID 110221652
1-[2-[2-[(3R)-3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 92615927
(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92576605
1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239748
1-[2-[2-[(3R)-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95830292
1-[2-[2-[(3S)-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95830293
N-methyl-3-[(3R)-1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812520
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 92552418

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one (CID 46955386) is 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one is Nc1cc2ccccc2nc1C1CCN(C(=O)COCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is OPQGNXJWQMVBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c23-18-14-17-4-1-2-5-19(17)24-22(18)16-7-10-26(11-8-16)21(28)15-29-13-12-25-9-3-6-20(25)27/h1-2,4-5,14,16H,3,6-13,15,23H2.
What are the key properties of 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 396.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 46955386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).