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400067-02-9 molecular structure
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7-methyl-2-(morpholin-4-yl)quinoline-3-carbaldehyde

ChemBase ID: 231407
Molecular Formular: C15H16N2O2
Molecular Mass: 256.29974
Monoisotopic Mass: 256.12117776
SMILES and InChIs

SMILES:
c1(nc2c(cc1C=O)ccc(c2)C)N1CCOCC1
Canonical SMILES:
O=Cc1cc2ccc(cc2nc1N1CCOCC1)C
InChI:
InChI=1S/C15H16N2O2/c1-11-2-3-12-9-13(10-18)15(16-14(12)8-11)17-4-6-19-7-5-17/h2-3,8-10H,4-7H2,1H3
InChIKey:
CRXORMWUIJFHDE-UHFFFAOYSA-N

Cite this record

CBID:231407 http://www.chembase.cn/molecule-231407.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methyl-2-(morpholin-4-yl)quinoline-3-carbaldehyde
IUPAC Traditional name
7-methyl-2-(morpholin-4-yl)quinoline-3-carbaldehyde
Synonyms
7-methyl-2-morpholin-4-ylquinoline-3-carbaldehyde
7-Methyl-2-morpholin-4-yl-quinoline-3-carbaldehyde
CAS Number
400067-02-9
MDL Number
MFCD02598571
PubChem SID
164287317
PubChem CID
801883

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 801883 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7014253  LogD (pH = 7.4) 2.8387496 
Log P 2.840825  Molar Refractivity 75.4211 cm3
Polarizability 29.071135 Å3 Polar Surface Area 42.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.822 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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