C21H25N3O3 | Cheminformatics

6,7-dimethoxy-N-[(4-methoxyphenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine

Formula:C21H25N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6,7-dimethoxy-N-[(4-methoxyphenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine is a drug-like molecule.

MolName6,7-dimethoxy-N-[(4-methoxyphenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine
MolecularFormulaC21H25N3O3
SmilesCC(C)(Cc(c1c2)cc(OC)c2OC)N=C1NN=Cc(cc1)ccc1OC
InChIInChI=1S/C21H25N3O3/c1-21(2)12-15-10-18(26-4)19(27-5)11-17(15)20(23-21)24-22-13-14-6-8-16(25-3)9-7-14/h6-11,13H,12H2,1-5H3,(H,23,24)
InChIKWMZISVPXHMWRGW-UHFFFAOYSA-N
TotalMolweight367.448
Molweight367.448
MonoisotopicMass367.189592
CLogP3.6718
CLogS-4.667
H Acceptors6
H Donors1
TotalSurfaceArea294.18
Relative PSA0.21919
PolarSurfaceArea64.44
Druglikeness2.6309
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms3
BasicNitrogens1
StereoCon

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