1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone

C15H16ClN3O2 — CID 119409930

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
SMILESN[C@@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-4-13(15-11(12)2-1-6-18-15)21-9-14(20)19-7-5-10(17)8-19/h1-4,6,10H,5,7-9,17H2/t10-/m1/s1
InChIKeyXHWBNWQLYHZKQQ-SNVBAGLBSA-N
MW305.76 g/mol
LogP1.83
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone (PubChem CID 119409930) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
PubChem CID119409930
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
SMILESN[C@@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-4-13(15-11(12)2-1-6-18-15)21-9-14(20)19-7-5-10(17)8-19/h1-4,6,10H,5,7-9,17H2/t10-/m1/s1
InChIKeyXHWBNWQLYHZKQQ-SNVBAGLBSA-N
XLogP1.83
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
CID 124611264
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone
CID 120818102
2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119622234
2-(5-chloroquinolin-8-yl)oxy-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 55843773
1-(3-aminopyrrolidin-1-yl)-2-(2,4-dimethylphenoxy)ethanone;hydrochloride
CID 119482915
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 119411568
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 119601328
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone (CID 119409930) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone is N[C@@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone?
The InChIKey is XHWBNWQLYHZKQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-3-4-13(15-11(12)2-1-6-18-15)21-9-14(20)19-7-5-10(17)8-19/h1-4,6,10H,5,7-9,17H2/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone has a molecular weight of 305.76 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone is sourced from PubChem (CID 119409930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).