Basic information
- CAS
123742-98-3- Standard SMILES
N#CC1C=Cc2ccccc2N1C(=O)c1ccc(Cl)cc1- InChIKey
LUVKPKVQLSIRFM-UHFFFAOYSA-N- Molecular formula
- C17H11ClN2O
- Average molar mass
- 294.7 g/mol
- Monoisotopic mass
- 294.0559907
Overview
structure given in first source; antagonizes HIV-1 reverse transcriptase; RN given for (+-)-isomer; RN for cpd without isomeric designation not available 8/93
Names & identifiers
- Preferred name
- 1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile
- IUPAC
- 1-(4-chlorobenzoyl)-2H-quinoline-2-carbonitrile
- English name
- 1-(4-chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile
- Molecular weight
- 0
Names & synonyms
1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile123742-98-3U-78036RefChem:42517994540-23-51-(4-Chlorobenzoyl)-1,2-dihydroquinoline-2-carbonitrile1-(4-chlorobenzoyl)-2H-quinoline-2-carbonitrile2-Cyano-1-(4-chloro-benzoyl)-1,2-dihydroquinoline2-Quinolinecarbonitrile, 1-(4-chlorobenzoyl)-1,2-dihydro-U 78036SCHEMBL9365789SCHEMBL29624123
Show more names
DTXSID50915453AKOS024337517SB704951-(4-CHLOROBENZOYL)-2-CYANO-1,2-DIHYDROQUINOLINE2-Quinolinecarbonitrile, 1-(4-chlorobenzyl)-1,2-didehydro-, (+-)-
Database identifiers
- CAS
123742-98-3、94540-23-5- PubChem CID
- 72244
- DTXSID
DTXSID50915453- EC Number
- 668-113-3
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 472
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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