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47P

Summary
Name:2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one
Formula:C15 H19 N3 O
Formal charge:0
Formula weight:257.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one
OpenEye OEToolkits1.9.22-[[[(1S)-1-cyclopropylethyl]-methyl-amino]methyl]-3H-quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c3ccccc3N=C(N1)CN(C(C)C2CC2)C
InChIInChI1.03InChI=1S/C15H19N3O/c1-10(11-7-8-11)18(2)9-14-16-13-6-4-3-5-12(13)15(19)17-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)/t10-/m0/s1
InChIKeyInChI1.03CPCKLTIADHIWQT-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2
SMILESCACTVS3.385C[CH](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2
SMILESOpenEye OEToolkits1.9.2CC(C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2

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PDB entries from 2024-07-10

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