(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

C23H31N5O2 — CID 92606329

IUPAC(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)CC1=O
InChIInChI=1S/C23H31N5O2/c1-26(2)10-11-27-15-18(13-21(27)29)23(30)28-9-5-7-17(14-28)22-19(24)12-16-6-3-4-8-20(16)25-22/h3-4,6,8,12,17-18H,5,7,9-11,13-15,24H2,1-2H3/t17-,18-/m0/s1
InChIKeyJYCPSIRPEONNSV-ROUUACIJSA-N
MW409.53 g/mol
LogP1.93
Rot. Bonds5

About (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (PubChem CID 92606329) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
PubChem CID92606329
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)CC1=O
InChIInChI=1S/C23H31N5O2/c1-26(2)10-11-27-15-18(13-21(27)29)23(30)28-9-5-7-17(14-28)22-19(24)12-16-6-3-4-8-20(16)25-22/h3-4,6,8,12,17-18H,5,7,9-11,13-15,24H2,1-2H3/t17-,18-/m0/s1
InChIKeyJYCPSIRPEONNSV-ROUUACIJSA-N
XLogP1.93
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110222610
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119480879
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92576605
1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 136542936
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
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120749928
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 119416484

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (CID 92606329) is (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)CC1=O.
What is the InChIKey of (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is JYCPSIRPEONNSV-ROUUACIJSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-26(2)10-11-27-15-18(13-21(27)29)23(30)28-9-5-7-17(14-28)22-19(24)12-16-6-3-4-8-20(16)25-22/h3-4,6,8,12,17-18H,5,7,9-11,13-15,24H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 409.53 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 92606329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).