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

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide

ChemBase ID: 470171
Molecular Formular: C20H22N4O
Molecular Mass: 334.41488
Monoisotopic Mass: 334.17936134
SMILES and InChIs

SMILES:
c1(c2c(nc(c1)C)ccc(c2)C)C(=O)NCCc1nc(cc(n1)C)C
Canonical SMILES:
Cc1nc(CCNC(=O)c2cc(C)nc3c2cc(C)cc3)nc(c1)C
InChI:
InChI=1S/C20H22N4O/c1-12-5-6-18-16(9-12)17(11-15(4)22-18)20(25)21-8-7-19-23-13(2)10-14(3)24-19/h5-6,9-11H,7-8H2,1-4H3,(H,21,25)
InChIKey:
NCKVMFOFVQRUMX-UHFFFAOYSA-N

Cite this record

CBID:470171 http://www.chembase.cn/molecule-470171.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
IUPAC Traditional name
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
Synonyms
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2,6-dimethyl-4-quinolinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33910045 external link Add to cart
Data Source Data ID Price
ChemBridge
33910045 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 15.218526  H Acceptors
H Donor LogD (pH = 5.5) 2.6927643 
LogD (pH = 7.4) 2.6991112  Log P 2.6991925 
Molar Refractivity 98.2571 cm3 Polarizability 38.333073 Å3
Polar Surface Area 67.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.84  LOG S -4.06 
Polar Surface Area 67.77 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