2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

C16H18ClN3O3 — CID 120943944

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NCC1CNCC1O
InChIInChI=1S/C16H18ClN3O3/c17-12-3-4-14(16-11(12)2-1-5-19-16)23-9-15(22)20-7-10-6-18-8-13(10)21/h1-5,10,13,18,21H,6-9H2,(H,20,22)
InChIKeyXXGNFOKUXJXRSK-UHFFFAOYSA-N
MW335.79 g/mol
LogP0.96
Rot. Bonds5

About 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (PubChem CID 120943944) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
PubChem CID120943944
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NCC1CNCC1O
InChIInChI=1S/C16H18ClN3O3/c17-12-3-4-14(16-11(12)2-1-5-19-16)23-9-15(22)20-7-10-6-18-8-13(10)21/h1-5,10,13,18,21H,6-9H2,(H,20,22)
InChIKeyXXGNFOKUXJXRSK-UHFFFAOYSA-N
XLogP0.96
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945408
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962551
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-(5-chloroquinolin-8-yl)oxy-N-[3-(methylamino)propyl]acetamide;dihydrochloride
CID 119430250
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8716441
2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 51172402
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51133132
2-(5-chloroquinolin-8-yl)oxy-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9330887
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 119601328

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (CID 120943944) is 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is O=C(COc1ccc(Cl)c2cccnc12)NCC1CNCC1O.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The InChIKey is XXGNFOKUXJXRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-12-3-4-14(16-11(12)2-1-5-19-16)23-9-15(22)20-7-10-6-18-8-13(10)21/h1-5,10,13,18,21H,6-9H2,(H,20,22).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide has a molecular weight of 335.79 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 120943944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).