N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide

C20H26N4O — CID 110355201

IUPACN-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCN(C)CCN1CCN(C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C20H26N4O/c1-22(2)12-13-23-14-15-24(19-11-7-6-10-18(19)23)20(25)21-16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,21,25)
InChIKeyGMWDEROHJDQIQW-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.78
Rot. Bonds5

About N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide

N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 110355201) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID110355201
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCN(C)CCN1CCN(C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C20H26N4O/c1-22(2)12-13-23-14-15-24(19-11-7-6-10-18(19)23)20(25)21-16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,21,25)
InChIKeyGMWDEROHJDQIQW-UHFFFAOYSA-N
XLogP2.78
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide (CID 110355201) is N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide is CN(C)CCN1CCN(C(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is GMWDEROHJDQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22(2)12-13-23-14-15-24(19-11-7-6-10-18(19)23)20(25)21-16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide?
N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 110355201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).