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Basic information
- CAS
80065-56-1- Standard SMILES
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1.O=C(O)CCC(=O)O- InChIKey
VMXINWSRRNXJPQ-UHFFFAOYSA-N- Molecular formula
- C27H32F3N3O6
- Average molar mass
- 551.6 g/mol
- Monoisotopic mass
- 551.2243204
Names & identifiers
- Preferred name
- 1,4-Pentanediamine, N(sup 4)-(6-methoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)-8-quinolinyl)-, butanedioate (1:1)
- IUPAC
- butanedioic acid;4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
- English name
- N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pent ane-1,2-diamine
- Molecular formula
- C23H26F3N3O2
- Molecular weight
- 0
Names & synonyms
1,4-Pentanediamine, N(sup 4)-(6-methoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)-8-quinolinyl)-, butanedioate (1:1)RefChem:1053364WR 225448 succinate80065-56-1SCHEMBL1650306CHEMBL1159739DTXSID101000955butanedioic acid;4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine8-(4-Amino-1-methylbutylamino)-6-methoxy-4-methyl-5-(3-trifluoromethylphenoxy)quinoline SuccinateButanedioic acid--N~4~-{6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (1/1)N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pent ane-1,2-diamine
Database identifiers
- CAS
80065-56-1- PubChem CID
- 3061968
- DTXSID
DTXSID101000955- ChEMBL
CHEMBL1159739
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 643
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
2 records
Compound notes
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