9-(6-Bromohexanoyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one

HCID 21887435
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Basic information

Standard SMILES
O=C(CCCCCBr)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIKey
YYFPXXTZBVHZBM-UHFFFAOYSA-N
Molecular formula
C18H22BrNO2
Average molar mass
364.3 g/mol

Names & identifiers

Preferred name
9-(6-Bromohexanoyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
IUPAC
7-(6-bromohexanoyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

Names & synonyms

SCHEMBL4851995YYFPXXTZBVHZBM-UHFFFAOYSA-N9-(6-Bromohexanoyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one

Database identifiers

PubChem CID
21887435

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
22

Related reactions

4 records
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Compound notes

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