2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide

C17H20N2O3 — CID 126478767

IUPAC2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc2ccccc2c(=O)n1CC(=O)NCC1CCCO1
InChIInChI=1S/C17H20N2O3/c1-12-9-13-5-2-3-7-15(13)17(21)19(12)11-16(20)18-10-14-6-4-8-22-14/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,18,20)
InChIKeySTAVKSWVNUSAMR-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.61
Rot. Bonds4

About 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 126478767) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID126478767
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc2ccccc2c(=O)n1CC(=O)NCC1CCCO1
InChIInChI=1S/C17H20N2O3/c1-12-9-13-5-2-3-7-15(13)17(21)19(12)11-16(20)18-10-14-6-4-8-22-14/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,18,20)
InChIKeySTAVKSWVNUSAMR-UHFFFAOYSA-N
XLogP1.61
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 4571287
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 23410667
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 668670
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46925423
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92884777
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 53161461
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
2-[4-(2-methylphenyl)-3-oxopiperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97147655
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7664292
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 126478767) is 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1cc2ccccc2c(=O)n1CC(=O)NCC1CCCO1.
What is the InChIKey of 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is STAVKSWVNUSAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-9-13-5-2-3-7-15(13)17(21)19(12)11-16(20)18-10-14-6-4-8-22-14/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 126478767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).