Home > Compound List > Compound details
816448-94-9 molecular structure
click picture or here to close

6-methylquinoline-4-carboxylic acid

ChemBase ID: 307011
Molecular Formular: C11H9NO2
Molecular Mass: 187.19466
Monoisotopic Mass: 187.06332853
SMILES and InChIs

SMILES:
c12c(C(=O)O)ccnc1ccc(c2)C
Canonical SMILES:
Cc1ccc2c(c1)c(ccn2)C(=O)O
InChI:
InChI=1S/C11H9NO2/c1-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-6H,1H3,(H,13,14)
InChIKey:
URMBLJWNBITPCV-UHFFFAOYSA-N

Cite this record

CBID:307011 http://www.chembase.cn/molecule-307011.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methylquinoline-4-carboxylic acid
IUPAC Traditional name
6-methylquinoline-4-carboxylic acid
Synonyms
6-methylquinoline-4-carboxylic acid
CAS Number
816448-94-9
MDL Number
MFCD00784840

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4010352 external link Add to cart
Data Source Data ID Price
ChemBridge
4010352 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3901179  LogD (pH = 7.4) -1.0467689 
Log P 2.126465  Molar Refractivity 52.2767 cm3
Polarizability 21.040054 Å3 Polar Surface Area 50.19 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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