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164256136 molecular structure
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N-ethyl-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]pyridine-3-carboxamide

ChemBase ID: 200226
Molecular Formular: C19H19N3O3
Molecular Mass: 337.37246
Monoisotopic Mass: 337.14264148
SMILES and InChIs

SMILES:
c1(c(nc2c(c1)cc(cc2)OC)O)CN(C(=O)c1cnccc1)CC
Canonical SMILES:
CCN(C(=O)c1cccnc1)Cc1cc2cc(OC)ccc2nc1O
InChI:
InChI=1S/C19H19N3O3/c1-3-22(19(24)13-5-4-8-20-11-13)12-15-9-14-10-16(25-2)6-7-17(14)21-18(15)23/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKey:
WWRVHOKDVSCDKV-UHFFFAOYSA-N

Cite this record

CBID:200226 http://www.chembase.cn/molecule-200226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]pyridine-3-carboxamide
IUPAC Traditional name
N-ethyl-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]pyridine-3-carboxamide
PubChem SID
164256136
PubChem CID
3821421

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3821421 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.381697  H Acceptors
H Donor LogD (pH = 5.5) 2.4207354 
LogD (pH = 7.4) 2.4256146  Log P 2.4257226 
Molar Refractivity 94.813 cm3 Polarizability 37.111256 Å3
Polar Surface Area 75.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Description
Rotamers (1:1) expand Show data source
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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