N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide

C20H20ClN3O — CID 46591279

IUPACN-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)C(C)c3cccc(Cl)c3)cc2nc1C
InChIInChI=1S/C20H20ClN3O/c1-12-13(2)23-19-11-16(8-9-18(19)22-12)20(25)24(4)14(3)15-6-5-7-17(21)10-15/h5-11,14H,1-4H3
InChIKeySPDCCOFWFUSJTJ-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.73
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide (PubChem CID 46591279) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
PubChem CID46591279
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)C(C)c3cccc(Cl)c3)cc2nc1C
InChIInChI=1S/C20H20ClN3O/c1-12-13(2)23-19-11-16(8-9-18(19)22-12)20(25)24(4)14(3)15-6-5-7-17(21)10-15/h5-11,14H,1-4H3
InChIKeySPDCCOFWFUSJTJ-UHFFFAOYSA-N
XLogP4.73
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110304253
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 46587835
N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 134054596
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612228
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide (CID 46591279) is N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)N(C)C(C)c3cccc(Cl)c3)cc2nc1C.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The InChIKey is SPDCCOFWFUSJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-12-13(2)23-19-11-16(8-9-18(19)22-12)20(25)24(4)14(3)15-6-5-7-17(21)10-15/h5-11,14H,1-4H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 46591279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).