2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide

C21H25N3O3 — CID 130476467

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide
SMILESO=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2c(c1)CCCN2
InChIInChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)
InChIKeyABTFDUSGCSGBMO-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.69
Rot. Bonds4

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide (PubChem CID 130476467) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide
PubChem CID130476467
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide
SMILESO=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2c(c1)CCCN2
InChIInChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)
InChIKeyABTFDUSGCSGBMO-UHFFFAOYSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide (CID 130476467) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide is O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide?
The InChIKey is ABTFDUSGCSGBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 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]decan-4-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)acetamide is sourced from PubChem (CID 130476467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).