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3476-88-8 molecular structure
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5-chloro-3-(4-chloro-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one

ChemBase ID: 129492
Molecular Formular: C16H12Cl2N2O
Molecular Mass: 319.18528
Monoisotopic Mass: 318.03266837
SMILES and InChIs

SMILES:
Cc1cc(Cl)ccc1n1c(C)nc2cccc(Cl)c2c1=O
Canonical SMILES:
Clc1ccc(c(c1)C)n1c(C)nc2c(c1=O)c(Cl)ccc2
InChI:
InChI=1S/C16H12Cl2N2O/c1-9-8-11(17)6-7-14(9)20-10(2)19-13-5-3-4-12(18)15(13)16(20)21/h3-8H,1-2H3
InChIKey:
KUIHLOHNUGOCTO-UHFFFAOYSA-N

Cite this record

CBID:129492 http://www.chembase.cn/molecule-129492.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-3-(4-chloro-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
IUPAC Traditional name
5-chloro-3-(4-chloro-2-methylphenyl)-2-methylquinazolin-4-one
Synonyms
SL-164
CAS Number
3476-88-8
PubChem SID
162223785
PubChem CID
63386
Wikipedia Title
SL-164

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Wikipedia SL-164 external link
PubChem 63386 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.376586  LogD (pH = 7.4) 4.376586 
Log P 4.376586  Molar Refractivity 86.715 cm3
Polarizability 32.12464 Å3 Polar Surface Area 32.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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