N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

C18H16FN3O — CID 4253499

IUPACN-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2nc1C
InChIInChI=1S/C18H16FN3O/c1-11-12(2)22-17-9-14(5-8-16(17)21-11)18(23)20-10-13-3-6-15(19)7-4-13/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyBWGQDDPZIBJETQ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.32
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 4253499) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID4253499
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2nc1C
InChIInChI=1S/C18H16FN3O/c1-11-12(2)22-17-9-14(5-8-16(17)21-11)18(23)20-10-13-3-6-15(19)7-4-13/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyBWGQDDPZIBJETQ-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55907266
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573338
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
N-[2-(2,4-difluorophenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795619
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55946409
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 4253499) is N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCc3ccc(F)cc3)cc2nc1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is BWGQDDPZIBJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-12(2)22-17-9-14(5-8-16(17)21-11)18(23)20-10-13-3-6-15(19)7-4-13/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 4253499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).