Home > Compound List > Compound details
22048-88-0 molecular structure
click picture or here to close

1,2,3,4-tetrahydroquinoline-7-carboxylic acid

ChemBase ID: 799376
Molecular Formular: C10H11NO2
Molecular Mass: 177.19984
Monoisotopic Mass: 177.0789786
SMILES and InChIs

SMILES:
c1(cc2c(cc1)CCCN2)C(=O)O
Canonical SMILES:
OC(=O)c1ccc2c(c1)NCCC2
InChI:
InChI=1S/C10H11NO2/c12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5H2,(H,12,13)
InChIKey:
JWFQTXPQWRCFMR-UHFFFAOYSA-N

Cite this record

CBID:799376 http://www.chembase.cn/molecule-799376.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4-tetrahydroquinoline-7-carboxylic acid
IUPAC Traditional name
1,2,3,4-tetrahydroquinoline-7-carboxylic acid
Synonyms
1,2,3,4-tetrahydroquinoline-7-carboxylic acid
CAS Number
22048-88-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13925 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13925 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8990839  H Acceptors
H Donor LogD (pH = 5.5) 0.72307664 
LogD (pH = 7.4) -0.82779866  Log P 0.87714183 
Molar Refractivity 51.4186 cm3 Polarizability 18.517294 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle