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307538-54-1 molecular structure
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6-bromo-4-(4-methylpiperazin-1-yl)quinazoline

ChemBase ID: 311476
Molecular Formular: C13H15BrN4
Molecular Mass: 307.189
Monoisotopic Mass: 306.0480085
SMILES and InChIs

SMILES:
c1(c2c(ncn1)ccc(c2)Br)N1CCN(CC1)C
Canonical SMILES:
CN1CCN(CC1)c1ncnc2c1cc(Br)cc2
InChI:
InChI=1S/C13H15BrN4/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7H2,1H3
InChIKey:
RGRNAQFSIRFIOV-UHFFFAOYSA-N

Cite this record

CBID:311476 http://www.chembase.cn/molecule-311476.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-4-(4-methylpiperazin-1-yl)quinazoline
IUPAC Traditional name
6-bromo-4-(4-methylpiperazin-1-yl)quinazoline
Synonyms
6-bromo-4-(4-methylpiperazin-1-yl)quinazoline
CAS Number
307538-54-1
MDL Number
MFCD02166831

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6730669  LogD (pH = 7.4) 2.344532 
Log P 2.743436  Molar Refractivity 77.2155 cm3
Polarizability 29.877869 Å3 Polar Surface Area 32.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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