Home > Compound List > Compound details
21875-67-2 molecular structure
click picture or here to close

7-chloro-N-methylquinolin-4-amine

ChemBase ID: 289035
Molecular Formular: C10H9ClN2
Molecular Mass: 192.64486
Monoisotopic Mass: 192.04542598
SMILES and InChIs

SMILES:
CNc1ccnc2cc(Cl)ccc12
Canonical SMILES:
CNc1ccnc2c1ccc(c2)Cl
InChI:
InChI=1S/C10H9ClN2/c1-12-9-4-5-13-10-6-7(11)2-3-8(9)10/h2-6H,1H3,(H,12,13)
InChIKey:
UWTWMUXPAIGYME-UHFFFAOYSA-N

Cite this record

CBID:289035 http://www.chembase.cn/molecule-289035.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-N-methylquinolin-4-amine
IUPAC Traditional name
7-chloro-N-methylquinolin-4-amine
Synonyms
7-Chloro-N-methylquinolin-4-amine
CAS Number
21875-67-2
MDL Number
MFCD08706219
PubChem SID
180674566
PubChem CID
11694064

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD215965 Please log in.
Data Source Data ID
PubChem 11694064 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.98058504  LogD (pH = 7.4) 1.9545947 
Log P 2.2077234  Molar Refractivity 54.9779 cm3
Polarizability 21.792608 Å3 Polar Surface Area 24.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

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