chempirical

Quinazoline-6-carboxylic acid

C9H6N2O2CAS 676326-53-7174.16 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C9H6N2O2
Molar mass
174.16 g/mol
Exact mass
174.0429 Da
logP
1.33Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
676326-53-7
SMILES
C1=CC2=NC=NC=C2C=C1C(=O)O
InChIKey
WWABBFPTGJZEDN-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O2/c12-9(13)6-1-2-8-7(3-6)4-10-5-11-8/h1-5H,(H,12,13)

Weigh it out

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Names and synonyms

1 names
  • 6-Quinazolinecarboxylic acid (9ci)

Work with Quinazoline-6-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Quinolinecarboxylic acid10349-57-261 % similar 6-Isoquinolinecarboxylic acid106778-43-258 % similar 2,6-Naphthalenedicarboxylic acid1141-38-455 % similar 6-Quinoxalinecarboxylic acid6925-00-454 % similar 3-Quinolinecarboxylic acid6480-68-854 % similar 5-Pyrimidinecarboxylic acid4595-61-352 % similar Dinicotinic acid499-81-050 % similar 2-Methyl-6-quinolinecarboxylic acid635-80-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,6-Naphthyridine-2-carboxylic acid197507-59-8 5-Nitroso-8-hydroxyquinoline3565-26-2 4-Nitroisoquinoline36073-93-5 Toluene diisocyanate584-84-9 5-Nitroisoquinoline607-32-9 5-Nitroquinoline607-34-1 8-Nitroquinoline607-35-2 6-Nitroquinoline613-50-3

Elsewhere

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