Basic information
- CAS
1167574-41-5- Standard SMILES
Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1- InChIKey
DDDZBLNULGDPGA-UHFFFAOYSA-N- Molecular formula
- C23H24F3N3O2
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.1820615
Overview
MK0249 has been used in trials studying the treatment of Hypopnea Syndrome, Alzheimer's Disease, Paranoid Schizophrenia, Sleep Apnea, Obstructive, and Excessive Daytime Sleepiness, among others.
Names & identifiers
- Preferred name
- Mk-0249
- IUPAC
- 2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
- English name
- MK-0249
- Molecular formula
- C23H24F3N3O2
- Molecular weight
- 431.4507696
Names & synonyms
MK-02491167574-41-5MK0249MK 0249KF50235Q042-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-oneDTXSID701514922-METHYL-3-(4-(3-PYRROLIDIN-1-YLPROPOXY)PHENYL)-5-(TRIFLUOROMETHYL)QUINAZOLIN-4-ONERefChem:159169DTXCID70739832-methyl-3-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)-5-(trifluoromethyl)-3,4-dihydroquinazolin-4-one862309-06-6
Show more names
UNII-KF50235Q04CHEMBL4763232-methyl-3-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)-5-(trifluoromethyl)quinazolin-4(3h)-one2-Methyl-3-{4-[3-(pyrrolidin-1-yl)propoxy]phenyl}-5-(trifluoromethyl)quinazolin-4(3H)-oneMK-0249 free baseSCHEMBL119607GTPL7346orb1709121
Database identifiers
- CAS
1167574-41-5- PubChem CID
- 11697697
- DTXSID
DTXSID70151492- ChEMBL
CHEMBL476323- UNII
- KF50235Q04
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 655
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 50235 Q04 · KF50235Q04
Chemistry & industry
Suppliers9 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
InvivoChem中国13549236410 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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