N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C18H23N3O3 — CID 110752226

IUPACN-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-21(12-13-8-10-24-11-9-13)17(22)7-6-16-18(23)20-15-5-3-2-4-14(15)19-16/h2-5,13H,6-12H2,1H3,(H,20,23)
InChIKeyWDGOYYAWFWNQTL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.74
Rot. Bonds5

About N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110752226) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110752226
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C18H23N3O3/c1-21(12-13-8-10-24-11-9-13)17(22)7-6-16-18(23)20-15-5-3-2-4-14(15)19-16/h2-5,13H,6-12H2,1H3,(H,20,23)
InChIKeyWDGOYYAWFWNQTL-UHFFFAOYSA-N
XLogP1.74
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide 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 N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110752226) is N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CN(CC1CCOCC1)C(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is WDGOYYAWFWNQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21(12-13-8-10-24-11-9-13)17(22)7-6-16-18(23)20-15-5-3-2-4-14(15)19-16/h2-5,13H,6-12H2,1H3,(H,20,23).
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110752226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).