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N-(4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-7-yl)-2-fluoro-nicotinamide

HCID 68908856
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)CCNc2cc(NC(=O)c3cccnc3F)ccc21
InChIKey
GLBRVUIEQXZJQG-UHFFFAOYSA-N
Molecular formula
C17H18FN3O
Average molar mass
299.34 g/mol

Names & identifiers

Preferred name
N-(4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-7-yl)-2-fluoro-nicotinamide
IUPAC
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-fluoropyridine-3-carboxamide

Names & synonyms

SCHEMBL4092040GLBRVUIEQXZJQG-UHFFFAOYSA-NN-(4,4-dimethyl-1,2,3,4-tetrahydro-quinolin-7-yl)-2-fluoro-nicotinamide

Database identifiers

PubChem CID
68908856

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
54 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
415

Related reactions

6 records
New reaction record
HRID 312506 reaction equation
HRID 312506As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 888140 reaction equation
HRID 888140As reactantuspto-grants-2012_08
HRID 888156 reaction equation
HRID 888156As reactantuspto-grants-2012_08
HRID 888163 reaction equation
HRID 888163As reactantuspto-grants-2012_08
HRID 933703 reaction equation
HRID 933703As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1553311 reaction equation
HRID 1553311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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