Home > Compound List > Compound details
307538-52-9 molecular structure
click picture or here to close

6-bromo-4-(morpholin-4-yl)quinazoline

ChemBase ID: 311464
Molecular Formular: C12H12BrN3O
Molecular Mass: 294.14718
Monoisotopic Mass: 293.01637402
SMILES and InChIs

SMILES:
c1(c2c(ncn1)ccc(c2)Br)N1CCOCC1
Canonical SMILES:
Brc1ccc2c(c1)c(ncn2)N1CCOCC1
InChI:
InChI=1S/C12H12BrN3O/c13-9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2
InChIKey:
HQJHKFWXUFPBHU-UHFFFAOYSA-N

Cite this record

CBID:311464 http://www.chembase.cn/molecule-311464.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-4-(morpholin-4-yl)quinazoline
IUPAC Traditional name
6-bromo-4-(morpholin-4-yl)quinazoline
Synonyms
6-bromo-4-morpholin-4-ylquinazoline
CAS Number
307538-52-9
MDL Number
MFCD00441044

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 6140947 external link Add to cart
Data Source Data ID Price
ChemBridge
6140947 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) 2.6693938  LogD (pH = 7.4) 2.677709 
Log P 2.6778162  Molar Refractivity 70.2399 cm3
Polarizability 27.25275 Å3 Polar Surface Area 38.25 Å2

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