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9-Carboxy-2-(2-fluorophenyl)-7,8,9,10-tetrahydro-imidazo[1,2-c]-quinazolin-5(6H)-one

HCID 15434280
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C1CCc2[nH]c(=O)n3cc(-c4ccccc4F)nc3c2C1
InChIKey
PPPYGYGBYMFWIB-UHFFFAOYSA-N
Molecular formula
C17H14FN3O3
Average molar mass
327.31 g/mol

Names & identifiers

Preferred name
9-Carboxy-2-(2-fluorophenyl)-7,8,9,10-tetrahydro-imidazo[1,2-c]-quinazolin-5(6H)-one
IUPAC
2-(2-fluorophenyl)-5-oxo-7,8,9,10-tetrahydro-6H-imidazo[1,2-c]quinazoline-9-carboxylic acid

Names & synonyms

SCHEMBL8103365PPPYGYGBYMFWIB-UHFFFAOYSA-N9-Carboxy-2-(2-fluorophenyl)-7,8,9,10-tetrahydro-imidazo[1,2-c]-quinazolin-5(6H)-one

Database identifiers

PubChem CID
15434280

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
84.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Formal charge
0
Complexity
594

Related reactions

12 records
New reaction record
HRID 22008 reaction equation
HRID 22008As productuspto-grants-1995_06
HRID 22009 reaction equation
HRID 22009As reactantuspto-grants-1995_06
HRID 849638 reaction equation
HRID 849638As productuspto-grants-2000_01
HRID 849639 reaction equation
HRID 849639As reactantuspto-grants-2000_01
HRID 849641 reaction equation
HRID 849641As reactantuspto-grants-2000_01
HRID 1564919 reaction equation
HRID 1564919As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1574112 reaction equation
HRID 1574112As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1939629 reaction equation
HRID 1939629As productuspto-grants-1997_12
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Compound notes

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