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5382-44-5 molecular structure
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quinoline-2-carbohydrazide

ChemBase ID: 233338
Molecular Formular: C10H9N3O
Molecular Mass: 187.19796
Monoisotopic Mass: 187.07456192
SMILES and InChIs

SMILES:
n1c(C(=O)NN)ccc2c1cccc2
Canonical SMILES:
NNC(=O)c1ccc2c(n1)cccc2
InChI:
InChI=1S/C10H9N3O/c11-13-10(14)9-6-5-7-3-1-2-4-8(7)12-9/h1-6H,11H2,(H,13,14)
InChIKey:
JTDPJYXDDYUJBS-UHFFFAOYSA-N

Cite this record

CBID:233338 http://www.chembase.cn/molecule-233338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoline-2-carbohydrazide
IUPAC Traditional name
quinoline-2-carbohydrazide
Synonyms
quinoline-2-carbohydrazide
CAS Number
5382-44-5
MDL Number
MFCD00614750
PubChem SID
164289248
PubChem CID
246466

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-08028 external link Add to cart Please log in.
Data Source Data ID
PubChem 246466 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.482176  H Acceptors
H Donor LogD (pH = 5.5) 1.070287 
LogD (pH = 7.4) 1.0709075  Log P 1.0709153 
Molar Refractivity 53.1698 cm3 Polarizability 21.214993 Å3
Polar Surface Area 68.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
133 - 135°C expand Show data source
Hydrophobicity(logP)
1.066 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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