2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide

C23H26N6O2 — CID 131896167

IUPAC2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1cc(=O)c2ccccc2n1CC(=O)NC12CC3CC(C1)CC(n1ncnn1)(C3)C2
InChIInChI=1S/C23H26N6O2/c1-15-6-20(30)18-4-2-3-5-19(18)28(15)12-21(31)26-22-8-16-7-17(9-22)11-23(10-16,13-22)29-25-14-24-27-29/h2-6,14,16-17H,7-13H2,1H3,(H,26,31)
InChIKeyDMAYAJMITBLFFU-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide

2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (PubChem CID 131896167) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
PubChem CID131896167
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1cc(=O)c2ccccc2n1CC(=O)NC12CC3CC(C1)CC(n1ncnn1)(C3)C2
InChIInChI=1S/C23H26N6O2/c1-15-6-20(30)18-4-2-3-5-19(18)28(15)12-21(31)26-22-8-16-7-17(9-22)11-23(10-16,13-22)29-25-14-24-27-29/h2-6,14,16-17H,7-13H2,1H3,(H,26,31)
InChIKeyDMAYAJMITBLFFU-UHFFFAOYSA-N
XLogP2.16
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide 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 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The IUPAC name of 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (CID 131896167) is 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The canonical SMILES for 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is Cc1cc(=O)c2ccccc2n1CC(=O)NC12CC3CC(C1)CC(n1ncnn1)(C3)C2.
What is the InChIKey of 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The InChIKey is DMAYAJMITBLFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-6-20(30)18-4-2-3-5-19(18)28(15)12-21(31)26-22-8-16-7-17(9-22)11-23(10-16,13-22)29-25-14-24-27-29/h2-6,14,16-17H,7-13H2,1H3,(H,26,31).
What are the key properties of 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is sourced from PubChem (CID 131896167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).