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1268520-96-2 molecular structure
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4-amino-2-methylquinazoline-8-carboxylic acid

ChemBase ID: 289211
Molecular Formular: C10H9N3O2
Molecular Mass: 203.19736
Monoisotopic Mass: 203.06947654
SMILES and InChIs

SMILES:
O=C(c1cccc2c(N)nc(C)nc12)O
Canonical SMILES:
Cc1nc(N)c2c(n1)c(ccc2)C(=O)O
InChI:
InChI=1S/C10H9N3O2/c1-5-12-8-6(9(11)13-5)3-2-4-7(8)10(14)15/h2-4H,1H3,(H,14,15)(H2,11,12,13)
InChIKey:
BGNGPPPYZBYQQU-UHFFFAOYSA-N

Cite this record

CBID:289211 http://www.chembase.cn/molecule-289211.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-2-methylquinazoline-8-carboxylic acid
IUPAC Traditional name
4-amino-2-methylquinazoline-8-carboxylic acid
Synonyms
4-Amino-2-methylquinazoline-8-carboxylic acid
CAS Number
1268520-96-2
PubChem SID
180674742
PubChem CID
56845244

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD217344 Please log in.
Data Source Data ID
PubChem 56845244 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.6579516  H Acceptors
H Donor LogD (pH = 5.5) -1.1512012 
LogD (pH = 7.4) -2.108155  Log P -0.9403509 
Molar Refractivity 55.695 cm3 Polarizability 21.280445 Å3
Polar Surface Area 89.1 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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