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1,1,3,3-tetramethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride
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ChemBase ID:
182504
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Molecular Formular:
C15H21ClN2
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Molecular Mass:
264.79364
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Monoisotopic Mass:
264.13932636
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SMILES and InChIs
SMILES:
c12c([nH]c3c2cccc3)CC(NC1(C)C)(C)C.Cl
Canonical SMILES:
CC1(C)Cc2[nH]c3c(c2C(N1)(C)C)cccc3.Cl
InChI:
InChI=1S/C15H20N2.ClH/c1-14(2)9-12-13(15(3,4)17-14)10-7-5-6-8-11(10)16-12;/h5-8,16-17H,9H2,1-4H3;1H
InChIKey:
FAUKZMCMMWPZGS-UHFFFAOYSA-N
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Cite this record
CBID:182504 http://www.chembase.cn/molecule-182504.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,1,3,3-tetramethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride
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IUPAC Traditional name
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1,1,3,3-tetramethyl-2H,4H,5H-pyrido[4,3-b]indole hydrochloride
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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15.794768
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H Acceptors
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1
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H Donor
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2
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LogD (pH = 5.5)
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-0.4511031
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LogD (pH = 7.4)
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0.39778966
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Log P
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2.7558482
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Molar Refractivity
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71.804 cm3
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Polarizability
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29.25014 Å3
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Polar Surface Area
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27.82 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Salt Data
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HCl
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Show
data source
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Classification
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Rare Derivatives of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent