(S)-tert-Butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate

C₂₂H₂₄FN₃O₃CAS 870281-85-9397.45 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₂₂H₂₄FN₃O₃
Molar mass: 397.45 g/mol
Exact mass: 397.1802 Da
logP: 4.50Crippen estimate
Polar surface area: 73.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

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

870281-85-9

SMILES

CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChIKey

QFOZQYXYXFTQNB-INIZCTEOSA-N

InChI

InChI=1S/C22H24FN3O3/c1-5-16(25-21(28)29-22(2,3)4)19-24-17-13-9-12-15(23)18(17)20(27)26(19)14-10-7-6-8-11-14/h6-13,16H,5H2,1-4H3,(H,25,28)/t16-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

tert-Butyl N-[(1S)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate

Work with (S)-tert-Butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate

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

2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone870281-86-062 % similar Idelalisib870281-82-653 % similar Boc-L-phenylglycinol117049-14-641 % similar (S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-040 % similar tert-Butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate72155-45-440 % similar (R)-(+)-2-(tert-Butoxycarbonylamino)-3-phenylpropanal77119-85-840 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-539 % similar (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-239 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook