Basic information
- CAS
586414-25-7- Standard SMILES
Cc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CCC2- InChIKey
GBSGKIAPFLCQJP-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3
- Average molar mass
- 296.32 g/mol
- Monoisotopic mass
- 296.11609238
Names & identifiers
- Preferred name
- (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
- IUPAC
- (7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
Names & synonyms
586414-25-7Quinoline, 1,2,3,4-tetrahydro-7-methyl-1-(4-nitrobenzoyl)-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanoneDTXSID60358438CCG-317443SR-01000267484SR-01000267484-1(7-Methyl-3,4-dihydroquinolin-1(2H)-yl)(4-nitrophenyl)methanone
Database identifiers
- CAS
586414-25-7- PubChem CID
- 895005
- DTXSID
DTXSID60358438
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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