Home > Compound List > Compound details
1226694-16-1 molecular structure
click picture or here to close

8-(1,4-diazepan-1-yl)-7-methoxyquinoline

ChemBase ID: 798259
Molecular Formular: C15H19N3O
Molecular Mass: 257.33086
Monoisotopic Mass: 257.15281224
SMILES and InChIs

SMILES:
c1(c(c2c(cc1)cccn2)N1CCCNCC1)OC
Canonical SMILES:
COc1ccc2c(c1N1CCNCCC1)nccc2
InChI:
InChI=1S/C15H19N3O/c1-19-13-6-5-12-4-2-8-17-14(12)15(13)18-10-3-7-16-9-11-18/h2,4-6,8,16H,3,7,9-11H2,1H3
InChIKey:
RZOLXBDAJYKMGS-UHFFFAOYSA-N

Cite this record

CBID:798259 http://www.chembase.cn/molecule-798259.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(1,4-diazepan-1-yl)-7-methoxyquinoline
IUPAC Traditional name
8-(1,4-diazepan-1-yl)-7-methoxyquinoline
Synonyms
8-(1,4-DIAZEPAN-1-YL)-7-METHOXYQUINOLINE
CAS Number
1226694-16-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10741 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10741 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6085207  LogD (pH = 7.4) -0.53442806 
Log P 1.6053045  Molar Refractivity 76.4919 cm3
Polarizability 30.638315 Å3 Polar Surface Area 37.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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