N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide

C21H23ClN4O — CID 110304253

IUPACN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC(c3cccc(Cl)c3)N(C)C)cc2nc1C
InChIInChI=1S/C21H23ClN4O/c1-13-14(2)25-19-11-16(8-9-18(19)24-13)21(27)23-12-20(26(3)4)15-6-5-7-17(22)10-15/h5-11,20H,12H2,1-4H3,(H,23,27)
InChIKeyWSTMNLOJTLABKA-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.93
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110304253) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110304253
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC(c3cccc(Cl)c3)N(C)C)cc2nc1C
InChIInChI=1S/C21H23ClN4O/c1-13-14(2)25-19-11-16(8-9-18(19)24-13)21(27)23-12-20(26(3)4)15-6-5-7-17(22)10-15/h5-11,20H,12H2,1-4H3,(H,23,27)
InChIKeyWSTMNLOJTLABKA-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 30474759
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
3-tert-butyl-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110623949
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623936
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 110304253) is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCC(c3cccc(Cl)c3)N(C)C)cc2nc1C.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is WSTMNLOJTLABKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-13-14(2)25-19-11-16(8-9-18(19)24-13)21(27)23-12-20(26(3)4)15-6-5-7-17(22)10-15/h5-11,20H,12H2,1-4H3,(H,23,27).
What are the key properties of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 382.90 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110304253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).