N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide

C20H19ClN4O2 — CID 17410522

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C20H19ClN4O2/c1-2-25(13-19(26)24-12-14-3-6-16(21)7-4-14)20(27)15-5-8-17-18(11-15)23-10-9-22-17/h3-11H,2,12-13H2,1H3,(H,24,26)
InChIKeyWCAMFYMZRJXTKS-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.06
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide (PubChem CID 17410522) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
PubChem CID17410522
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C20H19ClN4O2/c1-2-25(13-19(26)24-12-14-3-6-16(21)7-4-14)20(27)15-5-8-17-18(11-15)23-10-9-22-17/h3-11H,2,12-13H2,1H3,(H,24,26)
InChIKeyWCAMFYMZRJXTKS-UHFFFAOYSA-N
XLogP3.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 17426138
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(methylsulfonylmethyl)benzamide
CID 8897183
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038168
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N-(quinoxalin-6-ylmethyl)propanamide
CID 110672190
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide
CID 55118335
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-ethylacetamide
CID 18079819
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55792417
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 24509742

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide (CID 17410522) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide?
The InChIKey is WCAMFYMZRJXTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-25(13-19(26)24-12-14-3-6-16(21)7-4-14)20(27)15-5-8-17-18(11-15)23-10-9-22-17/h3-11H,2,12-13H2,1H3,(H,24,26).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide is sourced from PubChem (CID 17410522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).