3-(2-Chloroethyl)-4-oxo-(1H)-cinnoline

HCID 20072758
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Basic information

Standard SMILES
O=c1c(CCCl)n[nH]c2ccccc12
InChIKey
IDCDVORPXHKFCC-UHFFFAOYSA-N
Molecular formula
C10H9ClN2O
Average molar mass
208.64 g/mol
Monoisotopic mass
208.0403406

Names & identifiers

Preferred name
3-(2-Chloroethyl)-4-oxo-(1H)-cinnoline
IUPAC
3-(2-chloroethyl)-1H-cinnolin-4-one

Names & synonyms

SCHEMBL9864070IDCDVORPXHKFCC-UHFFFAOYSA-N3-(2-Chloroethyl)-4-oxo-(1H)-cinnoline

Database identifiers

PubChem CID
20072758

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Related reactions

3 records
New reaction record

Compound notes

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