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

3-({[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl](methyl)amino}methyl)-6-methyl-1,2-dihydroquinolin-2-one

ChemBase ID: 320320
Molecular Formular: C19H24N4O
Molecular Mass: 324.42006
Monoisotopic Mass: 324.19501141
SMILES and InChIs

SMILES:
c1(c(=O)[nH]c2c(c1)cc(cc2)C)CN(Cc1c(nn(c1)CC)C)C
Canonical SMILES:
CCn1nc(c(c1)CN(Cc1cc2cc(C)ccc2[nH]c1=O)C)C
InChI:
InChI=1S/C19H24N4O/c1-5-23-12-17(14(3)21-23)11-22(4)10-16-9-15-8-13(2)6-7-18(15)20-19(16)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,24)
InChIKey:
ABHAKTXBUZGNRD-UHFFFAOYSA-N

Cite this record

CBID:320320 http://www.chembase.cn/molecule-320320.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-({[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl](methyl)amino}methyl)-6-methyl-1,2-dihydroquinolin-2-one
IUPAC Traditional name
3-({[(1-ethyl-3-methylpyrazol-4-yl)methyl](methyl)amino}methyl)-6-methyl-1H-quinolin-2-one
Synonyms
3-{[[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-6-methylquinolin-2(1H)-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 10991363 external link Add to cart
Data Source Data ID Price
ChemBridge
10991363 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.870948  H Acceptors
H Donor LogD (pH = 5.5) 0.46642184 
LogD (pH = 7.4) 2.148382  Log P 2.574601 
Molar Refractivity 111.0351 cm3 Polarizability 36.731194 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.88  LOG S -4.03 
Polar Surface Area 53.92 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