2-Amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Basic information
- CAS
332018-47-0- Standard SMILES
CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1O- InChIKey
LESHKYOXMGUUAJ-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.14772686
Overview
2-amino-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is a member of quinomethanes.
Names & identifiers
- Preferred name
- 2-Amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Names & synonyms
2-Amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile332018-47-02-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-5,6,7,8-tetrahydro-quinoline-3-carbonitrile2-Amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrileSMR000009578MLS000031076BAS 00801654Oprea1_476164Oprea1_796775MLS002536429CHEMBL1369817CHEBI:119904
Show more names
DTXSID101136693HMS2276C13AKOS000566494ST50005151AG-690/12135018Q272076732-amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitril e2-amino-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Database identifiers
- CAS
332018-47-0- PubChem CID
- 647589
- DTXSID
DTXSID101136693- ChEMBL
CHEMBL1369817- ChEBI
CHEBI:119904
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…