N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide

C13H13F3N4O — CID 107493646

IUPACN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide
SMILESNCCN(CC(F)(F)F)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)8-20(6-3-17)12(21)9-1-2-10-11(7-9)19-5-4-18-10/h1-2,4-5,7H,3,6,8,17H2
InChIKeyBPYIASVRWWASNT-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.59
Rot. Bonds4

About N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide

N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide (PubChem CID 107493646) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide
PubChem CID107493646
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide
SMILESNCCN(CC(F)(F)F)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)8-20(6-3-17)12(21)9-1-2-10-11(7-9)19-5-4-18-10/h1-2,4-5,7H,3,6,8,17H2
InChIKeyBPYIASVRWWASNT-UHFFFAOYSA-N
XLogP1.59
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
4,4,4-trifluoro-1-quinoxalin-6-ylbutan-1-one
CID 64567570
N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 107493520
quinoxaline-6-carboxylic acid chloride
CID 86626600
N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide
CID 80659192
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
2-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 103857495
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide (CID 107493646) is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide is NCCN(CC(F)(F)F)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide?
The InChIKey is BPYIASVRWWASNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)8-20(6-3-17)12(21)9-1-2-10-11(7-9)19-5-4-18-10/h1-2,4-5,7H,3,6,8,17H2.
What are the key properties of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide?
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 107493646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).