4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

C22H26N4O2 — CID 110222610

IUPAC4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESNc1cc2ccccc2nc1C1CCCN(C(=O)C2CC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C22H26N4O2/c23-18-10-14-4-1-2-6-19(14)24-21(18)15-5-3-9-25(12-15)22(28)16-11-20(27)26(13-16)17-7-8-17/h1-2,4,6,10,15-17H,3,5,7-9,11-13,23H2
InChIKeyRJPQYLGETGVVKY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.53
Rot. Bonds3

About 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 110222610) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID110222610
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESNc1cc2ccccc2nc1C1CCCN(C(=O)C2CC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C22H26N4O2/c23-18-10-14-4-1-2-6-19(14)24-21(18)15-5-3-9-25(12-15)22(28)16-11-20(27)26(13-16)17-7-8-17/h1-2,4,6,10,15-17H,3,5,7-9,11-13,23H2
InChIKeyRJPQYLGETGVVKY-UHFFFAOYSA-N
XLogP2.53
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 51590631
1-cyclopropyl-4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71926859
(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92576605
(3S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92602854
(4R)-1-cyclopropyl-4-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 94526728
1-cyclopentyl-4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)pyrrolidin-2-one
CID 20866293
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylpropan-1-one
CID 110222612
1-cyclopropyl-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43422106
(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
CID 92603216
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (CID 110222610) is 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is Nc1cc2ccccc2nc1C1CCCN(C(=O)C2CC(=O)N(C3CC3)C2)C1.
What is the InChIKey of 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is RJPQYLGETGVVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-18-10-14-4-1-2-6-19(14)24-21(18)15-5-3-9-25(12-15)22(28)16-11-20(27)26(13-16)17-7-8-17/h1-2,4,6,10,15-17H,3,5,7-9,11-13,23H2.
What are the key properties of 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 110222610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).