2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone

C₁₇H₁₆FN₃OCAS 870281-86-0297.33 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₇H₁₆FN₃O
Molar mass: 297.33 g/mol
Exact mass: 297.1277 Da
logP: 2.93Crippen estimate
Polar surface area: 60.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

870281-86-0

SMILES

CC[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1

InChIKey

BNMGOWXQUZHWIO-ZDUSSCGKSA-N

InChI

InChI=1S/C17H16FN3O/c1-2-13(19)16-20-14-10-6-9-12(18)15(14)17(22)21(16)11-7-4-3-5-8-11/h3-10,13H,2,19H2,1H3/t13-/m0/s1

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Names and synonyms

4 names

4(3H)-Quinazolinone, 2-[(1S)-1-aminopropyl]-5-fluoro-3-phenyl-
(S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
(S)-1-(5-Fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propan-1-amine
2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenylquinazolin-4-one

Work with 2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone

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

Idelalisib870281-82-661 % similar 1-Phenylpropylamine2941-20-035 % similar (+)-1-Phenylpropylamine3082-64-235 % similar (-)-1-Phenylpropylamine3789-59-135 % similar 2,4-Diamino-5-fluoroquinazoline119584-70-233 % similar

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

Elsewhere

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