N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C12H17N3O2 — CID 113433226

IUPACN-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCN(CCO)C(=O)c1cccc2c1NCCN2
InChIInChI=1S/C12H17N3O2/c1-15(7-8-16)12(17)9-3-2-4-10-11(9)14-6-5-13-10/h2-4,13-14,16H,5-8H2,1H3
InChIKeyAKTGBZAEKVWJIC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 113433226) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID113433226
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCN(CCO)C(=O)c1cccc2c1NCCN2
InChIInChI=1S/C12H17N3O2/c1-15(7-8-16)12(17)9-3-2-4-10-11(9)14-6-5-13-10/h2-4,13-14,16H,5-8H2,1H3
InChIKeyAKTGBZAEKVWJIC-UHFFFAOYSA-N
XLogP0.59
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide 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-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850061
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614808
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614558
N-propyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614467
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489140
N-[4-(dimethylamino)butan-2-yl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614770
N-[2-(dimethylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339594
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 81055211
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 106339568

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 113433226) is N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is CN(CCO)C(=O)c1cccc2c1NCCN2.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is AKTGBZAEKVWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(7-8-16)12(17)9-3-2-4-10-11(9)14-6-5-13-10/h2-4,13-14,16H,5-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 113433226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).