(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C19H22N4O2 — CID 92576605

IUPAC(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESNc1cc2ccccc2nc1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1
InChIInChI=1S/C19H22N4O2/c20-14-11-13-3-1-2-4-15(13)22-18(14)12-7-9-23(10-8-12)19(25)16-5-6-17(24)21-16/h1-4,11-12,16H,5-10,20H2,(H,21,24)/t16-/m1/s1
InChIKeyJXJIUBKNGPUKPA-MRXNPFEDSA-N
MW338.41 g/mol
LogP1.80
Rot. Bonds2

About (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92576605) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID92576605
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESNc1cc2ccccc2nc1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1
InChIInChI=1S/C19H22N4O2/c20-14-11-13-3-1-2-4-15(13)22-18(14)12-7-9-23(10-8-12)19(25)16-5-6-17(24)21-16/h1-4,11-12,16H,5-10,20H2,(H,21,24)/t16-/m1/s1
InChIKeyJXJIUBKNGPUKPA-MRXNPFEDSA-N
XLogP1.80
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 92576605) is (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is Nc1cc2ccccc2nc1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1.
What is the InChIKey of (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is JXJIUBKNGPUKPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-14-11-13-3-1-2-4-15(13)22-18(14)12-7-9-23(10-8-12)19(25)16-5-6-17(24)21-16/h1-4,11-12,16H,5-10,20H2,(H,21,24)/t16-/m1/s1.
What are the key properties of (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92576605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).