2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene

C65H62FN7O — CID 162257754

IUPAC2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene
SMILESCc1ccc(F)c(C(N)=NO)c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.Cc1ccccc1.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1
InChIInChI=1S/5C10H9N.C8H9FN2O.C7H8/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-5-2-3-7(9)6(4-5)8(10)11-12;1-7-5-3-2-4-6-7/h5*2-7H,1H3;2-4,12H,1H3,(H2,10,11);2-6H,1H3
InChIKeyZYVBBYYAEXSYSK-UHFFFAOYSA-N
MW976.26 g/mol
LogP15.94
Rot. Bonds1

About 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene

2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene (PubChem CID 162257754) has the molecular formula C65H62FN7O and a molecular weight of 976.26 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene
PubChem CID162257754
Molecular FormulaC65H62FN7O
Molecular Weight976.26 g/mol
Exact Mass975.50
IUPAC Name2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene
SMILESCc1ccc(F)c(C(N)=NO)c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.Cc1ccccc1.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1
InChIInChI=1S/5C10H9N.C8H9FN2O.C7H8/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-5-2-3-7(9)6(4-5)8(10)11-12;1-7-5-3-2-4-6-7/h5*2-7H,1H3;2-4,12H,1H3,(H2,10,11);2-6H,1H3
InChIKeyZYVBBYYAEXSYSK-UHFFFAOYSA-N
XLogP15.94
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.26
LogP ≤ 515.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;toluene
CID 161065973
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;5-methylquinoline;bis(6-methylquinoline);bis(7-methylquinoline);8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 160949105
6-methylisoquinoline;5-methylquinoline
CID 154664232
2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
CID 159538435
ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
CID 158608912
methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)
CID 158321851
6-methylquinoline
CID 7059
ethane;2-methyl-1,5-naphthyridine;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine;2-methylphenanthridine;3-methylphenanthridine;6-methylphenanthridine;8-methylphenanthridine;9-methylphenanthridine
CID 159182420
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene?
The IUPAC name of 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene (CID 162257754) is 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene.
What is the SMILES notation for 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene?
The canonical SMILES for 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene is Cc1ccc(F)c(C(N)=NO)c1.Cc1ccc2cccnc2c1.Cc1ccc2ncccc2c1.Cc1cccc2ncccc12.Cc1ccccc1.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.
What is the InChIKey of 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene?
The InChIKey is ZYVBBYYAEXSYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/5C10H9N.C8H9FN2O.C7H8/c1-8-4-2-6-10-9(8)5-3-7-11-10;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-5-2-3-7(9)6(4-5)8(10)11-12;1-7-5-3-2-4-6-7/h5*2-7H,1H3;2-4,12H,1H3,(H2,10,11);2-6H,1H3.
What are the key properties of 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene?
2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene has a molecular weight of 976.26 g/mol, XLogP of 15.94, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;toluene is sourced from PubChem (CID 162257754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).