3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine

C184H146ClF5N52O17S — CID 160872278

IUPAC3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine
SMILESCS(=O)(=O)c1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1ccc(-c2nnc(-c3nc4ccccc4nc3N)o2)cc1.Cc1ccc(Cl)c(-c2nnc(-c3nc4ccccc4nc3N)o2)c1.Cc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Nc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Nc1nc2cc(F)c(F)cc2nc1C(=O)NCc1ccccc1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1C(F)(F)F.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1[N+](=O)[O-].Nc1nc2ccccc2nc1C(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C18H16N4O.C17H12ClN5O.C17H13F3N4O.C17H13N5O3S.2C17H13N5O.C17H16N4O.C16H12F2N4O.C16H10N6O3.C16H13N5O3.C16H15N5O/c19-17-16(20-14-7-3-4-8-15(14)21-17)18(23)22-13-10-9-11-5-1-2-6-12(11)13;1-9-6-7-11(18)10(8-9)16-22-23-17(24-16)14-15(19)21-13-5-3-2-4-12(13)20-14;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;1-26(23,24)13-9-5-2-6-10(13)16-21-22-17(25-16)14-15(18)20-12-8-4-3-7-11(12)19-14;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;1-10-6-8-11(9-7-10)16-21-22-17(23-16)14-15(18)20-13-5-3-2-4-12(13)19-14;1-11-6-2-3-7-12(11)10-19-17(22)15-16(18)21-14-9-5-4-8-13(14)20-15;17-10-6-12-13(7-11(10)18)22-15(19)14(21-12)16(23)20-8-9-4-2-1-3-5-9;17-14-13(18-10-6-2-3-7-11(10)19-14)16-21-20-15(25-16)9-5-1-4-8-12(9)22(23)24;17-15-14(19-11-6-2-3-7-12(11)20-15)16(22)18-9-10-5-1-4-8-13(10)21(23)24;17-11-6-2-1-5-10(11)9-19-16(22)14-15(18)21-13-8-4-3-7-12(13)20-14/h1-8,13H,9-10H2,(H2,19,21)(H,22,23);2-8H,1H3,(H2,19,21);1-8H,9H2,(H2,21,24)(H,22,25);2-9H,1H3,(H2,18,20);2*2-9H,1H3,(H2,18,20);2-9H,10H2,1H3,(H2,18,21)(H,19,22);1-7H,8H2,(H2,19,22)(H,20,23);1-8H,(H2,17,19);1-8H,9H2,(H2,17,20)(H,18,22);1-8H,9,17H2,(H2,18,21)(H,19,22)/t13-;;;;;;;;;;/m0........../s1
InChIKeySLXHOZWABUKWMC-DHORPFTOSA-N
MW3520.05 g/mol
LogP29.97
Rot. Bonds30

About 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine

3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine (PubChem CID 160872278) has the molecular formula C184H146ClF5N52O17S and a molecular weight of 3520.05 g/mol. Its IUPAC name is 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine
PubChem CID160872278
Molecular FormulaC184H146ClF5N52O17S
Molecular Weight3520.05 g/mol
Exact Mass3517.15
IUPAC Name3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine
SMILESCS(=O)(=O)c1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1ccc(-c2nnc(-c3nc4ccccc4nc3N)o2)cc1.Cc1ccc(Cl)c(-c2nnc(-c3nc4ccccc4nc3N)o2)c1.Cc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Nc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Nc1nc2cc(F)c(F)cc2nc1C(=O)NCc1ccccc1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1C(F)(F)F.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1[N+](=O)[O-].Nc1nc2ccccc2nc1C(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C18H16N4O.C17H12ClN5O.C17H13F3N4O.C17H13N5O3S.2C17H13N5O.C17H16N4O.C16H12F2N4O.C16H10N6O3.C16H13N5O3.C16H15N5O/c19-17-16(20-14-7-3-4-8-15(14)21-17)18(23)22-13-10-9-11-5-1-2-6-12(11)13;1-9-6-7-11(18)10(8-9)16-22-23-17(24-16)14-15(19)21-13-5-3-2-4-12(13)20-14;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;1-26(23,24)13-9-5-2-6-10(13)16-21-22-17(25-16)14-15(18)20-12-8-4-3-7-11(12)19-14;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;1-10-6-8-11(9-7-10)16-21-22-17(23-16)14-15(18)20-13-5-3-2-4-12(13)19-14;1-11-6-2-3-7-12(11)10-19-17(22)15-16(18)21-14-9-5-4-8-13(14)20-15;17-10-6-12-13(7-11(10)18)22-15(19)14(21-12)16(23)20-8-9-4-2-1-3-5-9;17-14-13(18-10-6-2-3-7-11(10)19-14)16-21-20-15(25-16)9-5-1-4-8-12(9)22(23)24;17-15-14(19-11-6-2-3-7-12(11)20-15)16(22)18-9-10-5-1-4-8-13(10)21(23)24;17-11-6-2-1-5-10(11)9-19-16(22)14-15(18)21-13-8-4-3-7-12(13)20-14/h1-8,13H,9-10H2,(H2,19,21)(H,22,23);2-8H,1H3,(H2,19,21);1-8H,9H2,(H2,21,24)(H,22,25);2-9H,1H3,(H2,18,20);2*2-9H,1H3,(H2,18,20);2-9H,10H2,1H3,(H2,18,21)(H,19,22);1-7H,8H2,(H2,19,22)(H,20,23);1-8H,(H2,17,19);1-8H,9H2,(H2,17,20)(H,18,22);1-8H,9,17H2,(H2,18,21)(H,19,22)/t13-;;;;;;;;;;/m0........../s1
InChIKeySLXHOZWABUKWMC-DHORPFTOSA-N
XLogP29.97
TPSA1085.44 Ų
H-Bond Donors18
H-Bond Acceptors61
Rotatable Bonds30
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003520.05
LogP ≤ 529.97
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine
CID 160480168
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine?
The IUPAC name of 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine (CID 160872278) is 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine?
The canonical SMILES for 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine is CS(=O)(=O)c1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1ccc(-c2nnc(-c3nc4ccccc4nc3N)o2)cc1.Cc1ccc(Cl)c(-c2nnc(-c3nc4ccccc4nc3N)o2)c1.Cc1ccccc1-c1nnc(-c2nc3ccccc3nc2N)o1.Cc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Nc1ccccc1CNC(=O)c1nc2ccccc2nc1N.Nc1nc2cc(F)c(F)cc2nc1C(=O)NCc1ccccc1.Nc1nc2ccccc2nc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1C(F)(F)F.Nc1nc2ccccc2nc1C(=O)NCc1ccccc1[N+](=O)[O-].Nc1nc2ccccc2nc1C(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine?
The InChIKey is SLXHOZWABUKWMC-DHORPFTOSA-N. The full InChI is InChI=1S/C18H16N4O.C17H12ClN5O.C17H13F3N4O.C17H13N5O3S.2C17H13N5O.C17H16N4O.C16H12F2N4O.C16H10N6O3.C16H13N5O3.C16H15N5O/c19-17-16(20-14-7-3-4-8-15(14)21-17)18(23)22-13-10-9-11-5-1-2-6-12(11)13;1-9-6-7-11(18)10(8-9)16-22-23-17(24-16)14-15(19)21-13-5-3-2-4-12(13)20-14;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;1-26(23,24)13-9-5-2-6-10(13)16-21-22-17(25-16)14-15(18)20-12-8-4-3-7-11(12)19-14;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;1-10-6-8-11(9-7-10)16-21-22-17(23-16)14-15(18)20-13-5-3-2-4-12(13)19-14;1-11-6-2-3-7-12(11)10-19-17(22)15-16(18)21-14-9-5-4-8-13(14)20-15;17-10-6-12-13(7-11(10)18)22-15(19)14(21-12)16(23)20-8-9-4-2-1-3-5-9;17-14-13(18-10-6-2-3-7-11(10)19-14)16-21-20-15(25-16)9-5-1-4-8-12(9)22(23)24;17-15-14(19-11-6-2-3-7-12(11)20-15)16(22)18-9-10-5-1-4-8-13(10)21(23)24;17-11-6-2-1-5-10(11)9-19-16(22)14-15(18)21-13-8-4-3-7-12(13)20-14/h1-8,13H,9-10H2,(H2,19,21)(H,22,23);2-8H,1H3,(H2,19,21);1-8H,9H2,(H2,21,24)(H,22,25);2-9H,1H3,(H2,18,20);2*2-9H,1H3,(H2,18,20);2-9H,10H2,1H3,(H2,18,21)(H,19,22);1-7H,8H2,(H2,19,22)(H,20,23);1-8H,(H2,17,19);1-8H,9H2,(H2,17,20)(H,18,22);1-8H,9,17H2,(H2,18,21)(H,19,22)/t13-;;;;;;;;;;/m0........../s1.
What are the key properties of 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine?
3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine has a molecular weight of 3520.05 g/mol, XLogP of 29.97, 30 rotatable bonds, 18 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-aminophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-benzyl-6,7-difluoroquinoxaline-2-carboxamide;3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]quinoxaline-2-carboxamide;3-amino-N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[(2-nitrophenyl)methyl]quinoxaline-2-carboxamide;3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]quinoxaline-2-carboxamide;3-[5-(2-chloro-5-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine;3-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]quinoxalin-2-amine is sourced from PubChem (CID 160872278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).