7-Methyl-3-(3-(trifluoromethyl)phenyl)-1,4,6,7,8-pentahydrocinnolin-5-one

HCID 4246732
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Basic information

Standard SMILES
CC1CC(=O)C2=C(C1)NN=C(c1cccc(C(F)(F)F)c1)C2
InChIKey
PVEDHYQWCMJOBJ-UHFFFAOYSA-N
Molecular formula
C16H15F3N2O
Average molar mass
308.3 g/mol

Names & identifiers

Preferred name
7-Methyl-3-(3-(trifluoromethyl)phenyl)-1,4,6,7,8-pentahydrocinnolin-5-one
IUPAC
7-methyl-3-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-cinnolin-5-one

Names & synonyms

SCHEMBL39217907-methyl-3-(3-trifluoromethylphenyl)-4,6,7,8-terahydro-1H-cinnolin-5-one7-methyl-3-(3-trifluoromethylphenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one7-METHYL-3-(3-(TRIFLUOROMETHYL)PHENYL)-1,4,6,7,8-PENTAHYDROCINNOLIN-5-ONE

Database identifiers

PubChem CID
4246732

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
41.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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