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N-(3-fluoro-4-(7-hydroxyquinolin-4-yloxy)phenyl)-N-phenylcyclopropane-1,1-dicarboxamide

HCID 136347992
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
NC(=O)C1(C(=O)N(c2ccccc2)c2ccc(Oc3ccnc4cc(O)ccc34)c(F)c2)CC1
InChIKey
YFLSRYYMQCNQJE-UHFFFAOYSA-N
Molecular formula
C26H20FN3O4
Average molar mass
457.5 g/mol
Monoisotopic mass
457.14378429

Names & identifiers

Preferred name
N-(3-fluoro-4-(7-hydroxyquinolin-4-yloxy)phenyl)-N-phenylcyclopropane-1,1-dicarboxamide
IUPAC
1-N'-[3-fluoro-4-(7-hydroxyquinolin-4-yl)oxyphenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide

Names & synonyms

SCHEMBL377027YFLSRYYMQCNQJE-UHFFFAOYSA-NN-(3-fluoro-4-(7-hydroxyquinolin-4-yloxy)phenyl)-N-phenylcyclo-propane-1,1-dicarboxamideN-(3-fluoro-4-(7-hydroxyquinolin-4-yloxy)phenyl)-N-phenylcyclopropane-1,1-dicarboxamideN-(4-(7-hydroxyquinolin-4-yloxy)-3-fluorophenyl)-N-phenyl-cyclopropane-1,1-dicarboxamideN-(4-(7-hydroxyquinolin-4-yloxy)-3-fluorophenyl)-N-phenylcyclopropane-1,1-dicarboxamide

Database identifiers

PubChem CID
136347992

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Formal charge
0
Complexity
756

Related reactions

9 records
New reaction record
HRID 99962 reaction equation
HRID 99962As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 943993 reaction equation
HRID 943993As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1517916 reaction equation
HRID 1517916As reactantuspto-grants-2012_07
HRID 1969412 reaction equation
HRID 1969412As reactantuspto-grants-2013_04
HRID 1969425 reaction equation
HRID 1969425As reactantuspto-grants-2013_04
HRID 1969426 reaction equation
HRID 1969426As reactantuspto-grants-2013_04
HRID 2068208 reaction equation
HRID 2068208As reactantuspto-grants-2012_10
HRID 2068220 reaction equation
HRID 2068220As reactantuspto-grants-2012_10
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Compound notes

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