2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide

C22H21N3O3 — CID 46434974

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1cccc2cccnc12
InChIInChI=1S/C22H21N3O3/c26-17(23-10-8-14-4-1-3-13-5-2-9-24-20(13)14)12-25-21(27)18-15-6-7-16(11-15)19(18)22(25)28/h1-7,9,15-16,18-19H,8,10-12H2,(H,23,26)
InChIKeyHXOOZVICLPEFTG-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.70
Rot. Bonds5

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 46434974) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID46434974
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1cccc2cccnc12
InChIInChI=1S/C22H21N3O3/c26-17(23-10-8-14-4-1-3-13-5-2-9-24-20(13)14)12-25-21(27)18-15-6-7-16(11-15)19(18)22(25)28/h1-7,9,15-16,18-19H,8,10-12H2,(H,23,26)
InChIKeyHXOOZVICLPEFTG-UHFFFAOYSA-N
XLogP1.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
N-[2-(3-chlorophenyl)ethyl]-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98706313
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 98144418
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-trimethylsilylethyl)acetamide
CID 102562408
2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
(7S)-4-[4-(2-quinolin-8-ylacetyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 161394570
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenoxyethyl)acetamide
CID 51146551
N-butyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 47099534
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide (CID 46434974) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide is O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1cccc2cccnc12.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is HXOOZVICLPEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-17(23-10-8-14-4-1-3-13-5-2-9-24-20(13)14)12-25-21(27)18-15-6-7-16(11-15)19(18)22(25)28/h1-7,9,15-16,18-19H,8,10-12H2,(H,23,26).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 46434974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).