Home > Compound List > Compound details
 molecular structure
click picture or here to close

4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-8-methyl-2-(1-methyl-1H-pyrazol-4-yl)quinoline

ChemBase ID: 340738
Molecular Formular: C22H26N4O
Molecular Mass: 362.46804
Monoisotopic Mass: 362.21066147
SMILES and InChIs

SMILES:
C(=O)(c1c2c(nc(c3cn(nc3)C)c1)c(ccc2)C)N1[C@H](CCC[C@H]1C)C
Canonical SMILES:
C[C@@H]1CCC[C@@H](N1C(=O)c1cc(nc2c1cccc2C)c1cnn(c1)C)C
InChI:
InChI=1S/C22H26N4O/c1-14-7-5-10-18-19(22(27)26-15(2)8-6-9-16(26)3)11-20(24-21(14)18)17-12-23-25(4)13-17/h5,7,10-13,15-16H,6,8-9H2,1-4H3/t15-,16+
InChIKey:
YZTYZIRZNANGHR-IYBDPMFKSA-N

Cite this record

CBID:340738 http://www.chembase.cn/molecule-340738.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-8-methyl-2-(1-methyl-1H-pyrazol-4-yl)quinoline
IUPAC Traditional name
4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-8-methyl-2-(1-methylpyrazol-4-yl)quinoline
Synonyms
4-{[(2R*,6S*)-2,6-dimethylpiperidin-1-yl]carbonyl}-8-methyl-2-(1-methyl-1H-pyrazol-4-yl)quinoline

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13921610 external link Add to cart
Data Source Data ID Price
ChemBridge
13921610 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 4.086696  LogD (pH = 7.4) 4.0867653 
Log P 4.0867662  Molar Refractivity 118.5395 cm3
Polarizability 43.288204 Å3 Polar Surface Area 51.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.02  LOG S -5.27 
Polar Surface Area 51.02 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle