3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

C19H17F3N4O — CID 46365322

IUPAC3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESCCCNc1nc2ccccc2nc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O/c1-2-10-23-17-16(25-14-8-3-4-9-15(14)26-17)18(27)24-13-7-5-6-12(11-13)19(20,21)22/h3-9,11H,2,10H2,1H3,(H,23,26)(H,24,27)
InChIKeyMGVLOVFXACRXGT-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.72
Rot. Bonds5

About 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 46365322) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
PubChem CID46365322
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESCCCNc1nc2ccccc2nc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O/c1-2-10-23-17-16(25-14-8-3-4-9-15(14)26-17)18(27)24-13-7-5-6-12(11-13)19(20,21)22/h3-9,11H,2,10H2,1H3,(H,23,26)(H,24,27)
InChIKeyMGVLOVFXACRXGT-UHFFFAOYSA-N
XLogP4.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365060
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 118986422
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
3-ethyl-N-propyl-6-(trifluoromethyl)quinolin-2-amine
CID 63524713
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462
6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161183
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 6989867

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (CID 46365322) is 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is CCCNc1nc2ccccc2nc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is MGVLOVFXACRXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-2-10-23-17-16(25-14-8-3-4-9-15(14)26-17)18(27)24-13-7-5-6-12(11-13)19(20,21)22/h3-9,11H,2,10H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 46365322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).