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8-(6-ethyl-2-methylquinoline-4-carbonyl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

ChemBase ID: 340512
Molecular Formular: C21H24N4O2
Molecular Mass: 364.44086
Monoisotopic Mass: 364.18992603
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC3(N=C(NC3=O)C)CC2)c2c(nc(c1)C)ccc(c2)CC
Canonical SMILES:
CCc1ccc2c(c1)c(cc(n2)C)C(=O)N1CCC2(CC1)N=C(NC2=O)C
InChI:
InChI=1S/C21H24N4O2/c1-4-15-5-6-18-16(12-15)17(11-13(2)22-18)19(26)25-9-7-21(8-10-25)20(27)23-14(3)24-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,23,24,27)
InChIKey:
IBNBFIOVBBPMSO-UHFFFAOYSA-N

Cite this record

CBID:340512 http://www.chembase.cn/molecule-340512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(6-ethyl-2-methylquinoline-4-carbonyl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
IUPAC Traditional name
8-(6-ethyl-2-methylquinoline-4-carbonyl)-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
Synonyms
8-[(6-ethyl-2-methylquinolin-4-yl)carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13886437 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.248343  H Acceptors
H Donor LogD (pH = 5.5) 1.4661924 
LogD (pH = 7.4) 1.4788601  Log P 1.4790235 
Molar Refractivity 103.0141 cm3 Polarizability 40.355137 Å3
Polar Surface Area 74.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.28  LOG S -2.93 
Polar Surface Area 74.66 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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