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

C77H61N21O7 — CID 160819411

IUPAC4-[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
SMILESNC(=NO)c1ccc(-c2ccc(-c3cc(N)nc4ccccc34)cc2)cc1.NC(=NO)c1ccc(-c2nc(-c3cc(N)nc4ccccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1.NC(=NO)c1ccc(-c2nnc(-c3cc(N)nc4ccccc34)o2)cc1
InChIInChI=1S/C22H18N4O.C19H15N5O2.2C18H14N6O2/c23-21-13-19(18-3-1-2-4-20(18)25-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)22(24)26-27;20-17-9-14(13-3-1-2-4-15(13)23-17)16-10-22-19(26-16)12-7-5-11(6-8-12)18(21)24-25;19-15-9-13(12-3-1-2-4-14(12)21-15)17-22-18(26-24-17)11-7-5-10(6-8-11)16(20)23-25;19-15-9-13(12-3-1-2-4-14(12)21-15)18-23-22-17(26-18)11-7-5-10(6-8-11)16(20)24-25/h1-13,27H,(H2,23,25)(H2,24,26);1-10,25H,(H2,20,23)(H2,21,24);1-9,25H,(H2,19,21)(H2,20,23);1-9,25H,(H2,19,21)(H2,20,24)
InChIKeySFIKWBWPFJCHNE-UHFFFAOYSA-N
MW1392.47 g/mol
LogP12.74
Rot. Bonds12

About 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-[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 (PubChem CID 160819411) has the molecular formula C77H61N21O7 and a molecular weight of 1392.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID160819411
Molecular FormulaC77H61N21O7
Molecular Weight1392.47 g/mol
Exact Mass1391.51
IUPAC Name4-[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
SMILESNC(=NO)c1ccc(-c2ccc(-c3cc(N)nc4ccccc34)cc2)cc1.NC(=NO)c1ccc(-c2nc(-c3cc(N)nc4ccccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1.NC(=NO)c1ccc(-c2nnc(-c3cc(N)nc4ccccc34)o2)cc1
InChIInChI=1S/C22H18N4O.C19H15N5O2.2C18H14N6O2/c23-21-13-19(18-3-1-2-4-20(18)25-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)22(24)26-27;20-17-9-14(13-3-1-2-4-15(13)23-17)16-10-22-19(26-16)12-7-5-11(6-8-12)18(21)24-25;19-15-9-13(12-3-1-2-4-14(12)21-15)17-22-18(26-24-17)11-7-5-10(6-8-11)16(20)23-25;19-15-9-13(12-3-1-2-4-14(12)21-15)18-23-22-17(26-18)11-7-5-10(6-8-11)16(20)24-25/h1-13,27H,(H2,23,25)(H2,24,26);1-10,25H,(H2,20,23)(H2,21,24);1-9,25H,(H2,19,21)(H2,20,23);1-9,25H,(H2,19,21)(H2,20,24)
InChIKeySFIKWBWPFJCHNE-UHFFFAOYSA-N
XLogP12.74
TPSA493.95 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001392.47
LogP ≤ 512.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

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-(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 with MolForge

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Related Compounds

4-[(5-cyano-1,2,4-oxadiazol-3-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(5-cyano-1,3,4-oxadiazol-2-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,2,4-oxadiazol-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-(5-cyano-1,3,4-oxadiazol-2-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;4-[(2-cyano-1,3-oxazol-5-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 157444891
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
9-[4-[(4-Acridin-9-ylphenyl)-diphenylmethyl]phenyl]acridine;2-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]-diphenylmethyl]phenyl]-1,3-benzoxazole;2-[4-[diphenyl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[diphenyl-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methyl]phenyl]-5-phenyl-1,3-oxazole;3-[4-[[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-diphenylmethyl]phenyl]-4,5-diphenyl-1,2,4-triazole
CID 158604449
3-[[4-[2-[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;3-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,2,4-oxadiazole-5-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
CID 159659135
3-[[4-[2-[4-Methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,2,4-oxadiazole-5-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3,4-oxadiazole-2-carbonitrile;5-[[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]methyl]-1,3-oxazole-2-carbonitrile;5-[4-[2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]acetyl]phenyl]-1,3,4-oxadiazole-2-carbonitrile
CID 160975513
amino 4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]benzenecarboximidate;amino 4-[4-(2-aminoquinolin-4-yl)phenyl]benzenecarboximidate;4-[(E)-2-(3-amino-6-methylisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;3-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]quinolin-2-amine
CID 161329880
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=NO)c1ccc(-c2ccc(-c3cc(N)nc4ccccc34)cc2)cc1.NC(=NO)c1ccc(-c2nc(-c3cc(N)nc4ccccc34)no2)cc1.NC(=NO)c1ccc(-c2ncc(-c3cc(N)nc4ccccc34)o2)cc1.NC(=NO)c1ccc(-c2nnc(-c3cc(N)nc4ccccc34)o2)cc1.
What is the InChIKey of 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?
The InChIKey is SFIKWBWPFJCHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C19H15N5O2.2C18H14N6O2/c23-21-13-19(18-3-1-2-4-20(18)25-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)22(24)26-27;20-17-9-14(13-3-1-2-4-15(13)23-17)16-10-22-19(26-16)12-7-5-11(6-8-12)18(21)24-25;19-15-9-13(12-3-1-2-4-14(12)21-15)17-22-18(26-24-17)11-7-5-10(6-8-11)16(20)23-25;19-15-9-13(12-3-1-2-4-14(12)21-15)18-23-22-17(26-18)11-7-5-10(6-8-11)16(20)24-25/h1-13,27H,(H2,23,25)(H2,24,26);1-10,25H,(H2,20,23)(H2,21,24);1-9,25H,(H2,19,21)(H2,20,23);1-9,25H,(H2,19,21)(H2,20,24).
What are the key properties of 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-[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 has a molecular weight of 1392.47 g/mol, XLogP of 12.74, 12 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160819411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).