N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide

C18H22ClN3O2 — CID 95199133

IUPACN-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1CCN(Cc2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C18H22ClN3O2/c1-24-12-17(23)20-9-13-7-8-22(10-13)11-15-6-5-14-3-2-4-16(19)18(14)21-15/h2-6,13H,7-12H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyIOUFQSSXOMYZAZ-CYBMUJFWSA-N
MW347.85 g/mol
LogP2.47
Rot. Bonds6

About N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide

N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide (PubChem CID 95199133) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide
PubChem CID95199133
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1CCN(Cc2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C18H22ClN3O2/c1-24-12-17(23)20-9-13-7-8-22(10-13)11-15-6-5-14-3-2-4-16(19)18(14)21-15/h2-6,13H,7-12H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyIOUFQSSXOMYZAZ-CYBMUJFWSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide (CID 95199133) is N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1CCN(Cc2ccc3cccc(Cl)c3n2)C1.
What is the InChIKey of N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide?
The InChIKey is IOUFQSSXOMYZAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-24-12-17(23)20-9-13-7-8-22(10-13)11-15-6-5-14-3-2-4-16(19)18(14)21-15/h2-6,13H,7-12H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide?
N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide has a molecular weight of 347.85 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(8-chloroquinolin-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 95199133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).