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144924-32-3 molecular structure
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4,6-dichloro-2-(4-chlorophenyl)quinazoline

ChemBase ID: 812096
Molecular Formular: C14H7Cl3N2
Molecular Mass: 309.57778
Monoisotopic Mass: 307.96748127
SMILES and InChIs

SMILES:
c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)Cl)Cl
Canonical SMILES:
Clc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)Cl
InChI:
InChI=1S/C14H7Cl3N2/c15-9-3-1-8(2-4-9)14-18-12-6-5-10(16)7-11(12)13(17)19-14/h1-7H
InChIKey:
GGCLIINKGZTANY-UHFFFAOYSA-N

Cite this record

CBID:812096 http://www.chembase.cn/molecule-812096.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-2-(4-chlorophenyl)quinazoline
IUPAC Traditional name
4,6-dichloro-2-(4-chlorophenyl)quinazoline
Synonyms
4,6-DICHLORO-2-(4-CHLORO-PHENYL)-QUINAZOLINE
CAS Number
144924-32-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31823 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31823 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) 5.772007  LogD (pH = 7.4) 5.7720094 
Log P 5.7720094  Molar Refractivity 89.6873 cm3
Polarizability 31.991407 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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