Basic information
- Standard SMILES
O=C(CCCCCl)c1cc2c3c(c1)CCC(=O)N3CCC2- InChIKey
SHTCLMQQSMXDFV-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2
- Average molar mass
- 305.8 g/mol
Names & identifiers
- Preferred name
- 9-(5-chloropentanoyl)-1,2,6,7-tetrahydropyrido[3,2,1-ij]quinolin-3(5H)-one
- IUPAC
- 7-(5-chloropentanoyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
Names & synonyms
SCHEMBL4860547TQR0278SHTCLMQQSMXDFV-UHFFFAOYSA-N9-(5-chloropentanoyl)-1,2,6,7-tetrahydropyrido[3,2,1-ij]quinolin-3(5H)-one9-(5-Chloropentanoyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
Database identifiers
- PubChem CID
- 21887259
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Related reactions
4 records
Compound notes
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