N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide

C13H14ClN3O — CID 55186656

IUPACN-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H14ClN3O/c1-2-17(8-5-14)13(18)10-3-4-11-12(9-10)16-7-6-15-11/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyMUWZFKLWAABLMR-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.33
Rot. Bonds4

About N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide

N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide (PubChem CID 55186656) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
PubChem CID55186656
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H14ClN3O/c1-2-17(8-5-14)13(18)10-3-4-11-12(9-10)16-7-6-15-11/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyMUWZFKLWAABLMR-UHFFFAOYSA-N
XLogP2.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide
CID 55118335
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide
CID 80659192
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
CID 17410522
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide
CID 55186275
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
CID 106754273
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
CID 107673175
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide (CID 55186656) is N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide is CCN(CCCl)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide?
The InChIKey is MUWZFKLWAABLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-17(8-5-14)13(18)10-3-4-11-12(9-10)16-7-6-15-11/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide?
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide is sourced from PubChem (CID 55186656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).