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6-ethyl-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-methylquinoline-4-carboxamide

ChemBase ID: 460288
Molecular Formular: C20H27N3O2
Molecular Mass: 341.44728
Monoisotopic Mass: 341.21032712
SMILES and InChIs

SMILES:
c1(c2c(nc(c1)C)ccc(c2)CC)C(=O)NCCN1CCC(CC1)O
Canonical SMILES:
CCc1ccc2c(c1)c(cc(n2)C)C(=O)NCCN1CCC(CC1)O
InChI:
InChI=1S/C20H27N3O2/c1-3-15-4-5-19-17(13-15)18(12-14(2)22-19)20(25)21-8-11-23-9-6-16(24)7-10-23/h4-5,12-13,16,24H,3,6-11H2,1-2H3,(H,21,25)
InChIKey:
GFDNPVKNGNKBKI-UHFFFAOYSA-N

Cite this record

CBID:460288 http://www.chembase.cn/molecule-460288.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethyl-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-methylquinoline-4-carboxamide
IUPAC Traditional name
6-ethyl-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-methylquinoline-4-carboxamide
Synonyms
6-ethyl-N-[2-(4-hydroxy-1-piperidinyl)ethyl]-2-methyl-4-quinolinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.884426  H Acceptors
H Donor LogD (pH = 5.5) -0.6511819 
LogD (pH = 7.4) 1.0841918  Log P 1.6312811 
Molar Refractivity 99.9315 cm3 Polarizability 39.46536 Å3
Polar Surface Area 65.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.44  LOG S -2.92 
Polar Surface Area 65.46 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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