Basic information
- Standard SMILES
CC1(C)CN(CC(=O)N2CCC(O)CC2)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1- InChIKey
KXNBWCQLHYDGPZ-UHFFFAOYSA-N- Molecular formula
- C25H30ClN5O4
- Average molar mass
- 500 g/mol
Names & identifiers
- Preferred name
- 4-[2-(4-Hydroxy-piperdin-1-yl)-2-oxo-ethyl]-6,6-dimethyl-morpholine-3-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide
- IUPAC
- N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide
Names & synonyms
SCHEMBL1811915KXNBWCQLHYDGPZ-UHFFFAOYSA-N4-[2-(4-Hydroxy-piperdin-1-yl)-2-oxo-ethyl]-6,6-dimethyl-morpholine-3-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide
Database identifiers
- PubChem CID
- 67170609
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 792
Related reactions
1 records
Compound notes
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