chempirical

Cp466722

C17H15N7O2CAS 1080622-86-1349.35 g/mol

Open in Covalent MOL file
ONNNNNNNH2O
EtherPrimary amine

Properties

Molecular formula
C17H15N7O2
Molar mass
349.35 g/mol
Exact mass
349.1287 Da
logP
1.87Crippen estimate
Polar surface area
113.9 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
4

Identifiers

CAS number
1080622-86-1
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC
InChIKey
ILBRKJBKDGCSCB-UHFFFAOYSA-N
InChI
InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)

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Work with Cp466722

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

N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-437 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-735 % similar 4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline153436-54-534 % similar Fast red BB base134-29-231 % similar 2,4,6-Tris(2′-pyridyl)-1,3,5-triazine3682-35-731 % similar 6-Hydroxy-7-methoxy-4(3H)-quinazolinone179688-52-931 % similar

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

Elsewhere

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