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

C96H78N24O7S — CID 158197327

IUPAC4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(-c2ccc(-c3cnc(N)c4ccccc34)cc2)cc1.NC(=NO)c1ccc(-c2csc(-c3cc(N)nc4ccccc34)n2)cc1.NC(=NO)c1ccc(-c2nc(-c3cnc(N)c4ccccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cnc(N)c4ccccc34)o2)cc1.NC(=NO)c1ccc(/C=C/c2cc(N)nc3ccccc23)cc1
InChIInChI=1S/C22H18N4O.C19H15N5O2.C19H15N5OS.C18H14N6O2.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;20-17-9-14(13-3-1-2-4-15(13)22-17)19-23-16(10-26-19)11-5-7-12(8-6-11)18(21)24-25;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;19-17-11-14(15-3-1-2-4-16(15)21-17)10-7-12-5-8-13(9-6-12)18(20)22-23/h1-13,27H,(H2,23,26)(H2,24,25);1-10,25H,(H2,20,24)(H2,21,22);1-10,25H,(H2,20,22)(H2,21,24);1-9,25H,(H2,19,23)(H2,20,21);1-11,23H,(H2,19,21)(H2,20,22)/b;;;;10-7+
InChIKeyGAMOCKINSWNSNN-PQDKSZMFSA-N
MW1711.91 g/mol
LogP16.89
Rot. Bonds15

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

4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 158197327) has the molecular formula C96H78N24O7S and a molecular weight of 1711.91 g/mol. Its IUPAC name is 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID158197327
Molecular FormulaC96H78N24O7S
Molecular Weight1711.91 g/mol
Exact Mass1710.62
IUPAC Name4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(-c2ccc(-c3cnc(N)c4ccccc34)cc2)cc1.NC(=NO)c1ccc(-c2csc(-c3cc(N)nc4ccccc34)n2)cc1.NC(=NO)c1ccc(-c2nc(-c3cnc(N)c4ccccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cnc(N)c4ccccc34)o2)cc1.NC(=NO)c1ccc(/C=C/c2cc(N)nc3ccccc23)cc1
InChIInChI=1S/C22H18N4O.C19H15N5O2.C19H15N5OS.C18H14N6O2.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;20-17-9-14(13-3-1-2-4-15(13)22-17)19-23-16(10-26-19)11-5-7-12(8-6-11)18(21)24-25;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;19-17-11-14(15-3-1-2-4-16(15)21-17)10-7-12-5-8-13(9-6-12)18(20)22-23/h1-13,27H,(H2,23,26)(H2,24,25);1-10,25H,(H2,20,24)(H2,21,22);1-10,25H,(H2,20,22)(H2,21,24);1-9,25H,(H2,19,23)(H2,20,21);1-11,23H,(H2,19,21)(H2,20,22)/b;;;;10-7+
InChIKeyGAMOCKINSWNSNN-PQDKSZMFSA-N
XLogP16.89
TPSA565.44 Ų
H-Bond Donors15
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001711.91
LogP ≤ 516.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1027

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'}

Analyze 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide with MolForge

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Related Compounds

3-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,2-oxazole-5-carboxamide;4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-pyridin-3-yl-1,3-oxazole-2-carboxamide
CID 161396113
4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[(E)-2-(8-amino-1,7-naphthyridin-5-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
CID 157350047
4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide;4-[1-(2-aminoquinolin-4-yl)pyrazol-3-yl]-N'-hydroxybenzenecarboximidamide
CID 158022304
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
4-[3-(2-aminoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(2-aminoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(2-aminoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide
CID 160819411
4-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(2-aminoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(2-aminoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(2-aminoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
CID 161885894

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide (CID 158197327) is 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(-c2ccc(-c3cnc(N)c4ccccc34)cc2)cc1.NC(=NO)c1ccc(-c2csc(-c3cc(N)nc4ccccc34)n2)cc1.NC(=NO)c1ccc(-c2nc(-c3cnc(N)c4ccccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cnc(N)c4ccccc34)o2)cc1.NC(=NO)c1ccc(/C=C/c2cc(N)nc3ccccc23)cc1.
What is the InChIKey of 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is GAMOCKINSWNSNN-PQDKSZMFSA-N. The full InChI is InChI=1S/C22H18N4O.C19H15N5O2.C19H15N5OS.C18H14N6O2.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;20-17-9-14(13-3-1-2-4-15(13)22-17)19-23-16(10-26-19)11-5-7-12(8-6-11)18(21)24-25;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;19-17-11-14(15-3-1-2-4-16(15)21-17)10-7-12-5-8-13(9-6-12)18(20)22-23/h1-13,27H,(H2,23,26)(H2,24,25);1-10,25H,(H2,20,24)(H2,21,22);1-10,25H,(H2,20,22)(H2,21,24);1-9,25H,(H2,19,23)(H2,20,21);1-11,23H,(H2,19,21)(H2,20,22)/b;;;;10-7+.
What are the key properties of 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide?
4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 1711.91 g/mol, XLogP of 16.89, 15 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-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-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 158197327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).