4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide

C114H92N30O9S — CID 159847423

About 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide

4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 159847423) has the molecular formula C114H92N30O9S and a molecular weight of 2058.26 g/mol. Its IUPAC name is 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

• Compound Name: 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
• PubChem CID: 159847423
• Molecular Formula: C114H92N30O9S
• Molecular Weight: 2058.26 g/mol
• Exact Mass: 2056.74
• IUPAC Name: 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
• SMILES: NC(=NO)c1ccc(-c2ccc(-c3cnc(N)c4ccccc34)cc2)cc1.NC(=NO)c1ccc(-c2csc(-c3cnc(N)c4ccccc34)n2)cc1.NC(=NO)c1ccc(-c2nc(-c3cnc(N)c4ccccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cnc(N)c4ccccc34)o2)cc1.NC(=NO)c1ccc(-c2nnc(-c3cnc(N)c4ccccc34)o2)cc1.NC(=NO)c1ccc(/C=C/c2cnc(N)c3ccccc23)cc1
• InChI: InChI=1S/C22H18N4O.C19H15N5O2.C19H15N5OS.2C18H14N6O2.C18H16N4O/c23-21(26-27)17-11-7-15(8-12-17)14-5-9-16(10-6-14)20-13-25-22(24)19-4-2-1-3-18(19)20;20-17(24-25)11-5-7-12(8-6-11)19-23-10-16(26-19)15-9-22-18(21)14-4-2-1-3-13(14)15;20-17(24-25)12-7-5-11(6-8-12)16-10-26-19(23-16)15-9-22-18(21)14-4-2-1-3-13(14)15;19-15(23-25)10-5-7-11(8-6-10)18-22-17(24-26-18)14-9-21-16(20)13-4-2-1-3-12(13)14;19-15(24-25)10-5-7-11(8-6-10)17-22-23-18(26-17)14-9-21-16(20)13-4-2-1-3-12(13)14;19-17(22-23)13-8-5-12(6-9-13)7-10-14-11-21-18(20)16-4-2-1-3-15(14)16/h1-13,27H,(H2,23,26)(H2,24,25);2*1-10,25H,(H2,20,24)(H2,21,22);1-9,25H,(H2,19,23)(H2,20,21);1-9,25H,(H2,19,24)(H2,20,21);1-11,23H,(H2,19,22)(H2,20,21)/b;;;;;10-7+
• InChIKey: NPMJHPROWDDHFX-VFZHZHBTSA-N
• XLogP: 19.52
• TPSA: 701.88 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.26
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?

The IUPAC name of 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide (CID 159847423) is 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide.

What is the SMILES notation for 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?

The canonical SMILES for 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(-c2ccc(-c3cnc(N)c4ccccc34)cc2)cc1.NC(=NO)c1ccc(-c2csc(-c3cnc(N)c4ccccc34)n2)cc1.NC(=NO)c1ccc(-c2nc(-c3cnc(N)c4ccccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cnc(N)c4ccccc34)o2)cc1.NC(=NO)c1ccc(-c2nnc(-c3cnc(N)c4ccccc34)o2)cc1.NC(=NO)c1ccc(/C=C/c2cnc(N)c3ccccc23)cc1.

What is the InChIKey of 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?

The InChIKey is NPMJHPROWDDHFX-VFZHZHBTSA-N. The full InChI is InChI=1S/C22H18N4O.C19H15N5O2.C19H15N5OS.2C18H14N6O2.C18H16N4O/c23-21(26-27)17-11-7-15(8-12-17)14-5-9-16(10-6-14)20-13-25-22(24)19-4-2-1-3-18(19)20;20-17(24-25)11-5-7-12(8-6-11)19-23-10-16(26-19)15-9-22-18(21)14-4-2-1-3-13(14)15;20-17(24-25)12-7-5-11(6-8-12)16-10-26-19(23-16)15-9-22-18(21)14-4-2-1-3-13(14)15;19-15(23-25)10-5-7-11(8-6-10)18-22-17(24-26-18)14-9-21-16(20)13-4-2-1-3-12(13)14;19-15(24-25)10-5-7-11(8-6-10)17-22-23-18(26-17)14-9-21-16(20)13-4-2-1-3-12(13)14;19-17(22-23)13-8-5-12(6-9-13)7-10-14-11-21-18(20)16-4-2-1-3-15(14)16/h1-13,27H,(H2,23,26)(H2,24,25);2*1-10,25H,(H2,20,24)(H2,21,22);1-9,25H,(H2,19,23)(H2,20,21);1-9,25H,(H2,19,24)(H2,20,21);1-11,23H,(H2,19,22)(H2,20,21)/b;;;;;10-7+.

What are the key properties of 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?

4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 2058.26 g/mol, XLogP of 19.52, 18 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 159847423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).