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3-(2-chloroethyl)-2-phenylquinazolin-4(3H)-one

HCID 2772080
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=c1c2ccccc2nc(-c2ccccc2)n1CCCl
InChIKey
KQNZYZBXYOSFGX-UHFFFAOYSA-N
Molecular formula
C16H13ClN2O
Average molar mass
284.74 g/mol

Names & identifiers

Preferred name
3-(2-chloroethyl)-2-phenylquinazolin-4(3H)-one
IUPAC
3-(2-chloroethyl)-2-phenylquinazolin-4-one

Names & synonyms

3-(2-chloroethyl)-2-phenylquinazolin-4(3H)-one76315-66-73-(2-chloroethyl)-2-phenylquinazolin-4-one3-(2-chloroethyl)-2-phenyl-3,4-dihydroquinazolin-4-onestarbld0031790SCHEMBL11012826SCHEMBL30227085KQNZYZBXYOSFGX-UHFFFAOYSA-NBBL011681MFCD02600645STK802505AKOS003594650
Show more names
VS-030013-(2-chloroethyl)-2-phenyl-quinazolin-4-one3-(2-chloroethyl)-2-phenyl-4(3H)-quinazolinone

Database identifiers

PubChem CID
2772080
Nikkaji
J1.886.595E

Properties

Computed structural propertiesFilling in

XLogP
3.1
Topological polar surface area
32.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
390

Related reactions

9 records
New reaction record
HRID 300891 reaction equation
HRID 300891As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1156345 reaction equation
HRID 1156345As productuspto-grants-1982_06
HRID 1156346 reaction equation
HRID 1156346As reactantuspto-grants-1982_06
HRID 1156356 reaction equation
HRID 1156356As reactantuspto-grants-1982_06
HRID 1248231 reaction equation
HRID 1248231As productuspto-grants-1985_06
HRID 1248232 reaction equation
HRID 1248232As reactantuspto-grants-1985_06
HRID 1248242 reaction equation
HRID 1248242As reactantuspto-grants-1985_06
HRID 1551203 reaction equation
HRID 1551203As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes

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