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37751-39-6 molecular structure
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10-(3-chlorophenyl)-2H,3H,4H,10H-pyrimido[1,2-a]indol-10-ol

ChemBase ID: 126589
Molecular Formular: C17H15ClN2O
Molecular Mass: 298.7668
Monoisotopic Mass: 298.08729079
SMILES and InChIs

SMILES:
Clc1cccc(c1)C1(O)c2c(N3C1=NCCC3)cccc2
Canonical SMILES:
Clc1cccc(c1)C1(O)C2=NCCCN2c2c1cccc2
InChI:
InChI=1S/C17H15ClN2O/c18-13-6-3-5-12(11-13)17(21)14-7-1-2-8-15(14)20-10-4-9-19-16(17)20/h1-3,5-8,11,21H,4,9-10H2
InChIKey:
VKQDZNZTPGLGFD-UHFFFAOYSA-N

Cite this record

CBID:126589 http://www.chembase.cn/molecule-126589.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-(3-chlorophenyl)-2H,3H,4H,10H-pyrimido[1,2-a]indol-10-ol
IUPAC Traditional name
ciclazindol
Synonyms
Ciclazindol
CAS Number
37751-39-6
PubChem SID
162220919
PubChem CID
37825
Chemspider ID
34683
KEGG ID
D03486
Unique Ingredient Identifier
Y3I9520J7P
Wikipedia Title
Ciclazindol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.946884  H Acceptors
H Donor LogD (pH = 5.5) 2.9147058 
LogD (pH = 7.4) 2.9182944  Log P 2.9183528 
Molar Refractivity 84.5912 cm3 Polarizability 31.999168 Å3
Polar Surface Area 35.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Admin Routes
Oral expand Show data source
Excretion
Urine, feces expand Show data source
Half Life
~32 hours expand Show data source
Metabolism
Renal expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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