N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide

C18H16ClN3O2 — CID 31643907

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C18H16ClN3O2/c1-22(9-10-24-14-6-4-5-13(19)11-14)18(23)17-12-20-15-7-2-3-8-16(15)21-17/h2-8,11-12H,9-10H2,1H3
InChIKeyHFQNQFQMKXIEPF-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide (PubChem CID 31643907) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
PubChem CID31643907
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C18H16ClN3O2/c1-22(9-10-24-14-6-4-5-13(19)11-14)18(23)17-12-20-15-7-2-3-8-16(15)21-17/h2-8,11-12H,9-10H2,1H3
InChIKeyHFQNQFQMKXIEPF-UHFFFAOYSA-N
XLogP3.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzamide
CID 31643778
N-[2-(3-chlorophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 34472594
3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825
2-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119739739

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide (CID 31643907) is N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide?
The InChIKey is HFQNQFQMKXIEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-22(9-10-24-14-6-4-5-13(19)11-14)18(23)17-12-20-15-7-2-3-8-16(15)21-17/h2-8,11-12H,9-10H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 31643907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).