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1099929-70-0 molecular structure
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N-cyclopropyl-5-nitroquinolin-8-amine

ChemBase ID: 290984
Molecular Formular: C12H11N3O2
Molecular Mass: 229.23464
Monoisotopic Mass: 229.08512661
SMILES and InChIs

SMILES:
O=[N+](c1c2cccnc2c(NC2CC2)cc1)[O-]
Canonical SMILES:
[O-][N+](=O)c1ccc(c2c1cccn2)NC1CC1
InChI:
InChI=1S/C12H11N3O2/c16-15(17)11-6-5-10(14-8-3-4-8)12-9(11)2-1-7-13-12/h1-2,5-8,14H,3-4H2
InChIKey:
YVTXHPCFLJEPBL-UHFFFAOYSA-N

Cite this record

CBID:290984 http://www.chembase.cn/molecule-290984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-5-nitroquinolin-8-amine
IUPAC Traditional name
N-cyclopropyl-5-nitroquinolin-8-amine
Synonyms
N-Cyclopropyl-5-nitroquinolin-8-amine
CAS Number
1099929-70-0
PubChem SID
180676515
PubChem CID
31538185

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230505 Please log in.
Data Source Data ID
PubChem 31538185 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.653194  H Acceptors
H Donor LogD (pH = 5.5) 2.0092177 
LogD (pH = 7.4) 2.0092273  Log P 2.0092273 
Molar Refractivity 63.7048 cm3 Polarizability 24.739397 Å3
Polar Surface Area 68.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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