ChemSpider 2D Image | MK-7622 | C25H25N3O2

MK-7622

  • Molecular FormulaC25H25N3O2
  • Average mass399.485 Da
  • Monoisotopic mass399.194672 Da
  • ChemSpider ID30687747

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1227923-29-6 [RN]
3-[(1S,2S)-2-Hydroxycyclohexyl]-6-[(6-methyl-3-pyridinyl)methyl]benzo[h]chinazolin-4(3H)-on [German] [ACD/IUPAC Name]
3-[(1S,2S)-2-Hydroxycyclohexyl]-6-[(6-methyl-3-pyridinyl)methyl]benzo[h]quinazolin-4(3H)-one [ACD/IUPAC Name]
3-[(1S,2S)-2-Hydroxycyclohexyl]-6-[(6-méthyl-3-pyridinyl)méthyl]benzo[h]quinazolin-4(3H)-one [French] [ACD/IUPAC Name]
3-[(1S,2S)-2-HYDROXYCYCLOHEXYL]-6-[(6-METHYLPYRIDIN-3-YL)METHYL]-3H,4H-BENZO[H]QUINAZOLIN-4-ONE
3-[(1S,2S)-2-HYDROXYCYCLOHEXYL]-6-[(6-METHYLPYRIDIN-3-YL)METHYL]BENZO[H]QUINAZOLIN-4-ONE
57R7D1Q49R
Benzo[h]quinazolin-4(3H)-one, 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-methyl-3-pyridinyl)methyl]- [ACD/Index Name]
MK-7622
1227923-28-5 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      GPCR/G protein MedChem Express HY-15618
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-15618
      M1 receptor modulator is a muscarinic M1 receptor positive allosteric modulator.; Target: M1 receptor; M1 receptor modulator is useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. MedChem Express HY-15618
      M1 receptor modulator is a muscarinic M1 receptor positive allosteric modulator.;Target: M1 receptorM1 receptor modulator is useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. MedChem Express HY-15618
      mAChR MedChem Express HY-15618

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 643.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.7±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 11.98
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 28.87
Polar Surface Area: 66 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 306.1±7.0 cm3

Click to predict properties on the Chemicalize site


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