3-(2-Chloroethyl)-8-methyl-4(1H)-cinnolinone

HCID 20072759
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Basic information

CAS
131110-42-4
Standard SMILES
Cc1cccc2c(=O)c(CCCl)n[nH]c12
InChIKey
DYQWKVXKAFEMRQ-UHFFFAOYSA-N
Molecular formula
C11H11ClN2O
Average molar mass
222.67 g/mol
Monoisotopic mass
222.05599065

Names & identifiers

Preferred name
3-(2-Chloroethyl)-8-methyl-4(1H)-cinnolinone
IUPAC
3-(2-chloroethyl)-8-methyl-1H-cinnolin-4-one

Names & synonyms

3-(2-Chloroethyl)-8-methyl-4(1H)-cinnolinoneSCHEMBL9865079DYQWKVXKAFEMRQ-UHFFFAOYSA-NDTXSID501258011131110-42-43-(2-Chloroethyl)-8-methylcinnolin-4(1H)-one3-(2-Chloroethyl)-8-methyl-4-oxo-(1H)-cinnoline

Database identifiers

CAS
131110-42-4
PubChem CID
20072759
DTXSID
DTXSID501258011

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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