2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide

C16H19N3O2 — CID 102611921

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide
SMILESCC1(OCC(=O)NCc2cccc3cccnc23)CNC1
InChIInChI=1S/C16H19N3O2/c1-16(10-17-11-16)21-9-14(20)19-8-13-5-2-4-12-6-3-7-18-15(12)13/h2-7,17H,8-11H2,1H3,(H,19,20)
InChIKeyHXZHOMIZXCVSDG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.23
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide (PubChem CID 102611921) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide
PubChem CID102611921
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide
SMILESCC1(OCC(=O)NCc2cccc3cccnc23)CNC1
InChIInChI=1S/C16H19N3O2/c1-16(10-17-11-16)21-9-14(20)19-8-13-5-2-4-12-6-3-7-18-15(12)13/h2-7,17H,8-11H2,1H3,(H,19,20)
InChIKeyHXZHOMIZXCVSDG-UHFFFAOYSA-N
XLogP1.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-N-quinolin-8-ylacetamide
CID 102611786
2-(3-methylazetidin-3-yl)oxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 102656075
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
4-(methoxymethyl)-N-(quinolin-8-ylmethyl)piperidine-4-carboxamide
CID 120645665
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide (CID 102611921) is 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide is CC1(OCC(=O)NCc2cccc3cccnc23)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide?
The InChIKey is HXZHOMIZXCVSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(10-17-11-16)21-9-14(20)19-8-13-5-2-4-12-6-3-7-18-15(12)13/h2-7,17H,8-11H2,1H3,(H,19,20).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(quinolin-8-ylmethyl)acetamide is sourced from PubChem (CID 102611921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).