7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide

C19H17F3N4O2 — CID 171645325

IUPAC7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(C)c(-c2c(N)c(C(N)=O)cc3nc(C(F)(F)F)cnc23)c1C
InChIInChI=1S/C19H17F3N4O2/c1-8-4-5-12(28-3)9(2)14(8)15-16(23)10(18(24)27)6-11-17(15)25-7-13(26-11)19(20,21)22/h4-7H,23H2,1-3H3,(H2,24,27)
InChIKeyFLCZCUKVJZYCFH-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.62
Rot. Bonds3

About 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide

7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide (PubChem CID 171645325) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide
PubChem CID171645325
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide
SMILESCOc1ccc(C)c(-c2c(N)c(C(N)=O)cc3nc(C(F)(F)F)cnc23)c1C
InChIInChI=1S/C19H17F3N4O2/c1-8-4-5-12(28-3)9(2)14(8)15-16(23)10(18(24)27)6-11-17(15)25-7-13(26-11)19(20,21)22/h4-7H,23H2,1-3H3,(H2,24,27)
InChIKeyFLCZCUKVJZYCFH-UHFFFAOYSA-N
XLogP3.62
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide
CID 171820267
7-amino-8-(3-fluoro-5-methyl-2H-indazol-4-yl)quinoxaline-6-carboxamide
CID 171645117
8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779833
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557
5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163229806
[6-amino-7-carbamoyl-5-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazin-2-yl] trifluoromethanesulfonate
CID 166773278
3-amino-6-(furan-2-yl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346663
6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2775313
8-methoxy-2,4-dimethylquinoline-5-carboxamide
CID 82573973
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
2-amino-3-bromo-5-methoxy-4-methylbenzamide
CID 172598831
2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175967839

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide?
The IUPAC name of 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide (CID 171645325) is 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide?
The canonical SMILES for 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide is COc1ccc(C)c(-c2c(N)c(C(N)=O)cc3nc(C(F)(F)F)cnc23)c1C.
What is the InChIKey of 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide?
The InChIKey is FLCZCUKVJZYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-8-4-5-12(28-3)9(2)14(8)15-16(23)10(18(24)27)6-11-17(15)25-7-13(26-11)19(20,21)22/h4-7H,23H2,1-3H3,(H2,24,27).
What are the key properties of 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide?
7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-(3-methoxy-2,6-dimethylphenyl)-3-(trifluoromethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 171645325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).