3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine

C168H136ClF5N46O10 — CID 161010266

IUPAC3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
SMILESCC(C)(C)c1ccccc1CNC(=O)c1nc2ccccc2nc1N.CCc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Cc1cccc(CNC(=O)c2nc3ccccc3nc2N)c1F.Cc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2Cl)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2F)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccn2)o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H22N4O.C18H18N4O.C17H13F3N4O.C17H15FN4O.C17H13N5O.C16H10ClN5O.C16H10FN5O.C16H11N5O.C16H14N4O.C15H10N6O/c1-20(2,3)14-9-5-4-8-13(14)12-22-19(25)17-18(21)24-16-11-7-6-10-15(16)23-17;1-2-12-7-3-4-8-13(12)11-20-18(23)16-17(19)22-15-10-6-5-9-14(15)21-16;18-17(19,20)11-6-2-1-5-10(11)9-22-16(25)14-15(21)24-13-8-4-3-7-12(13)23-14;1-10-5-4-6-11(14(10)18)9-20-17(23)15-16(19)22-13-8-3-2-7-12(13)21-15;1-10-6-2-3-7-11(10)16-21-22-17(23-16)14-15(18)20-13-9-5-4-8-12(13)19-14;2*17-10-6-2-1-5-9(10)15-21-22-16(23-15)13-14(18)20-12-8-4-3-7-11(12)19-13;17-14-13(18-11-8-4-5-9-12(11)19-14)16-21-20-15(22-16)10-6-2-1-3-7-10;17-15-14(19-12-8-4-5-9-13(12)20-15)16(21)18-10-11-6-2-1-3-7-11;16-13-12(18-9-5-1-2-6-10(9)19-13)15-21-20-14(22-15)11-7-3-4-8-17-11/h4-11H,12H2,1-3H3,(H2,21,24)(H,22,25);3-10H,2,11H2,1H3,(H2,19,22)(H,20,23);1-8H,9H2,(H2,21,24)(H,22,25);2-8H,9H2,1H3,(H2,19,22)(H,20,23);2-9H,1H3,(H2,18,20);2*1-8H,(H2,18,20);1-9H,(H2,17,19);1-9H,10H2,(H2,17,20)(H,18,21);1-8H,(H2,16,19)
InChIKeyTXARAMDXXJAJEO-UHFFFAOYSA-N
MW3089.69 g/mol
LogP29.18
Rot. Bonds26

About 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine

3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine (PubChem CID 161010266) has the molecular formula C168H136ClF5N46O10 and a molecular weight of 3089.69 g/mol. Its IUPAC name is 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
PubChem CID161010266
Molecular FormulaC168H136ClF5N46O10
Molecular Weight3089.69 g/mol
Exact Mass3087.12
IUPAC Name3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
SMILESCC(C)(C)c1ccccc1CNC(=O)c1nc2ccccc2nc1N.CCc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Cc1cccc(CNC(=O)c2nc3ccccc3nc2N)c1F.Cc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2Cl)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2F)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccn2)o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H22N4O.C18H18N4O.C17H13F3N4O.C17H15FN4O.C17H13N5O.C16H10ClN5O.C16H10FN5O.C16H11N5O.C16H14N4O.C15H10N6O/c1-20(2,3)14-9-5-4-8-13(14)12-22-19(25)17-18(21)24-16-11-7-6-10-15(16)23-17;1-2-12-7-3-4-8-13(12)11-20-18(23)16-17(19)22-15-10-6-5-9-14(15)21-16;18-17(19,20)11-6-2-1-5-10(11)9-22-16(25)14-15(21)24-13-8-4-3-7-12(13)23-14;1-10-5-4-6-11(14(10)18)9-20-17(23)15-16(19)22-13-8-3-2-7-12(13)21-15;1-10-6-2-3-7-11(10)16-21-22-17(23-16)14-15(18)20-13-9-5-4-8-12(13)19-14;2*17-10-6-2-1-5-9(10)15-21-22-16(23-15)13-14(18)20-12-8-4-3-7-11(12)19-13;17-14-13(18-11-8-4-5-9-12(11)19-14)16-21-20-15(22-16)10-6-2-1-3-7-10;17-15-14(19-12-8-4-5-9-13(12)20-15)16(21)18-10-11-6-2-1-3-7-11;16-13-12(18-9-5-1-2-6-10(9)19-13)15-21-20-14(22-15)11-7-3-4-8-17-11/h4-11H,12H2,1-3H3,(H2,21,24)(H,22,25);3-10H,2,11H2,1H3,(H2,19,22)(H,20,23);1-8H,9H2,(H2,21,24)(H,22,25);2-8H,9H2,1H3,(H2,19,22)(H,20,23);2-9H,1H3,(H2,18,20);2*1-8H,(H2,18,20);1-9H,(H2,17,19);1-9H,10H2,(H2,17,20)(H,18,21);1-8H,(H2,16,19)
InChIKeyTXARAMDXXJAJEO-UHFFFAOYSA-N
XLogP29.18
TPSA870.99 Ų
H-Bond Donors15
H-Bond Acceptors51
Rotatable Bonds26
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003089.69
LogP ≤ 529.18
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1051

Analyze 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[[5-(3-chloro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(3-fluoro-5-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;bis((3S)-3-[[5-(5-fluoro-3-morpholin-4-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one);(3S)-3-[[5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
CID 157709204
3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-(2,3-dihydro-1H-inden-1-yl)quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;bis(3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine)
CID 160815206
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;N,N-dimethyl-1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-1-[1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(trifluoromethyl)phenyl]ethenyl]piperidin-4-amine;molecular hydrogen
CID 161881890
2-Tert-butyl-5-(2-chlorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;tris(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole
CID 157220241
3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[[3-(dimethylamino)phenyl]methyl]quinoxaline-2-carboxamide;bis(3-amino-N-[(3-methylphenyl)methyl]quinoxaline-2-carboxamide);3-amino-N-(1-phenylethyl)quinoxaline-2-carboxamide;3-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;bis(3-(5-methyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine);3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
CID 158428423
3-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;1,2-diethyl-3-methylcyclohexane;1,2-dimethylcyclohexa-1,3-diene;tris(1,2-dimethylcyclohexane);bis(3,4-dimethylpentan-2-one);2-(2,4-dimethylpent-1-en-3-yl)cyclohexa-1,3-diene;3-ethyl-1,2-dimethylcyclohexene;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;bis(3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine);3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;2,3,4-trimethylpent-1-ene
CID 158471653
3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[[3-(dimethylamino)phenyl]methyl]quinoxaline-2-carboxamide;3-amino-N-[(3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(4-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-(1-phenylethyl)quinoxaline-2-carboxamide;3-[5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-methyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine
CID 159685556

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine?
The IUPAC name of 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine (CID 161010266) is 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine.
What is the SMILES notation for 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine?
The canonical SMILES for 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine is CC(C)(C)c1ccccc1CNC(=O)c1nc2ccccc2nc1N.CCc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Cc1cccc(CNC(=O)c2nc3ccccc3nc2N)c1F.Cc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2Cl)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2F)o1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccn2)o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine?
The InChIKey is TXARAMDXXJAJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.C18H18N4O.C17H13F3N4O.C17H15FN4O.C17H13N5O.C16H10ClN5O.C16H10FN5O.C16H11N5O.C16H14N4O.C15H10N6O/c1-20(2,3)14-9-5-4-8-13(14)12-22-19(25)17-18(21)24-16-11-7-6-10-15(16)23-17;1-2-12-7-3-4-8-13(12)11-20-18(23)16-17(19)22-15-10-6-5-9-14(15)21-16;18-17(19,20)11-6-2-1-5-10(11)9-22-16(25)14-15(21)24-13-8-4-3-7-12(13)23-14;1-10-5-4-6-11(14(10)18)9-20-17(23)15-16(19)22-13-8-3-2-7-12(13)21-15;1-10-6-2-3-7-11(10)16-21-22-17(23-16)14-15(18)20-13-9-5-4-8-12(13)19-14;2*17-10-6-2-1-5-9(10)15-21-22-16(23-15)13-14(18)20-12-8-4-3-7-11(12)19-13;17-14-13(18-11-8-4-5-9-12(11)19-14)16-21-20-15(22-16)10-6-2-1-3-7-10;17-15-14(19-12-8-4-5-9-13(12)20-15)16(21)18-10-11-6-2-1-3-7-11;16-13-12(18-9-5-1-2-6-10(9)19-13)15-21-20-14(22-15)11-7-3-4-8-17-11/h4-11H,12H2,1-3H3,(H2,21,24)(H,22,25);3-10H,2,11H2,1H3,(H2,19,22)(H,20,23);1-8H,9H2,(H2,21,24)(H,22,25);2-8H,9H2,1H3,(H2,19,22)(H,20,23);2-9H,1H3,(H2,18,20);2*1-8H,(H2,18,20);1-9H,(H2,17,19);1-9H,10H2,(H2,17,20)(H,18,21);1-8H,(H2,16,19).
What are the key properties of 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine?
3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine has a molecular weight of 3089.69 g/mol, XLogP of 29.18, 26 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzylquinoxaline-2-carboxamide;3-amino-N-[(2-tert-butylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-ethylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-fluoro-3-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-(5-phenyl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine;3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)quinoxalin-2-amine is sourced from PubChem (CID 161010266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).