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7-fluoro-3-(piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

HCID 59424296
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1Nc2cc(F)ccc2CN1C1CCNCC1
InChIKey
HQBJRTHRXIVAEB-UHFFFAOYSA-N
Molecular formula
C13H16FN3O
Average molar mass
249.28 g/mol

Names & identifiers

Preferred name
7-fluoro-3-(piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one
IUPAC
7-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one

Names & synonyms

SCHEMBL2980222HQBJRTHRXIVAEB-UHFFFAOYSA-N7-fluoro-3-(piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one

Database identifiers

PubChem CID
59424296

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
44.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
319

Related reactions

4 records
New reaction record
HRID 169082 reaction equation
HRID 169082As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 501952 reaction equation
HRID 501952As reactantuspto-grants-2010_08
HRID 501988 reaction equation
HRID 501988As productuspto-grants-2010_08
HRID 2129014 reaction equation
HRID 2129014As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes