Ici 198256
Basic information
- CAS
107346-18-9- Standard SMILES
CCCCc1cccc2c(N)c(C(=O)NCC3CC3)nnc12- InChIKey
YZZUVXGTPDAWHI-UHFFFAOYSA-N- Molecular formula
- C17H22N4O
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.17936134
Overview
has reduced dependence liability; structure given in first source
Names & identifiers
- Preferred name
- Ici 198256
- IUPAC
- 4-amino-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamide
Names & synonyms
107346-18-9Ici 198256Ici-198,256DTXSID201480193-Cinnolinecarboxamide, 4-amino-8-butyl-N-(cyclopropylmethyl)-RefChem:147630DTXCID60705104-amino-8-butyl-N-(cyclopropylmethyl)cinnoline-3-carboxamideSCHEMBL9832680ICI-198256
Database identifiers
- CAS
107346-18-9- PubChem CID
- 129537
- DTXSID
DTXSID20148019
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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