2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide

C24H15ClF4N6O — CID 71767085

IUPAC2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide
SMILESCn1c(Nc2c(F)cccc2Cl)nc2c3nccnc3c(C(=O)Nc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C24H15ClF4N6O/c1-35-17-11-14(22(36)32-13-5-2-4-12(10-13)24(27,28)29)18-21(31-9-8-30-18)20(17)34-23(35)33-19-15(25)6-3-7-16(19)26/h2-11H,1H3,(H,32,36)(H,33,34)
InChIKeyUORHLLKCIPDHRZ-UHFFFAOYSA-N
MW514.87 g/mol
LogP6.32
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide

2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide (PubChem CID 71767085) has the molecular formula C24H15ClF4N6O and a molecular weight of 514.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide
PubChem CID71767085
Molecular FormulaC24H15ClF4N6O
Molecular Weight514.87 g/mol
Exact Mass514.09
IUPAC Name2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide
SMILESCn1c(Nc2c(F)cccc2Cl)nc2c3nccnc3c(C(=O)Nc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C24H15ClF4N6O/c1-35-17-11-14(22(36)32-13-5-2-4-12(10-13)24(27,28)29)18-21(31-9-8-30-18)20(17)34-23(35)33-19-15(25)6-3-7-16(19)26/h2-11H,1H3,(H,32,36)(H,33,34)
InChIKeyUORHLLKCIPDHRZ-UHFFFAOYSA-N
XLogP6.32
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.87
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562138

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide (CID 71767085) is 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide is Cn1c(Nc2c(F)cccc2Cl)nc2c3nccnc3c(C(=O)Nc3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide?
The InChIKey is UORHLLKCIPDHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF4N6O/c1-35-17-11-14(22(36)32-13-5-2-4-12(10-13)24(27,28)29)18-21(31-9-8-30-18)20(17)34-23(35)33-19-15(25)6-3-7-16(19)26/h2-11H,1H3,(H,32,36)(H,33,34).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide?
2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide has a molecular weight of 514.87 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[4,5-f]quinoxaline-5-carboxamide is sourced from PubChem (CID 71767085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).