N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide

C19H17F2N3O — CID 110795619

IUPACN-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCc3ccc(F)cc3F)cc2nc1C
InChIInChI=1S/C19H17F2N3O/c1-11-12(2)24-18-9-14(4-6-17(18)23-11)19(25)22-8-7-13-3-5-15(20)10-16(13)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)
InChIKeyWELXCTISHOGANY-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 110795619) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID110795619
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCCc3ccc(F)cc3F)cc2nc1C
InChIInChI=1S/C19H17F2N3O/c1-11-12(2)24-18-9-14(4-6-17(18)23-11)19(25)22-8-7-13-3-5-15(20)10-16(13)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25)
InChIKeyWELXCTISHOGANY-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573338
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
CID 81459566
N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108542124

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 110795619) is N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCCc3ccc(F)cc3F)cc2nc1C.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is WELXCTISHOGANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-11-12(2)24-18-9-14(4-6-17(18)23-11)19(25)22-8-7-13-3-5-15(20)10-16(13)21/h3-6,9-10H,7-8H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 110795619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).