7-[4-(cyclohexylamino)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

Formula:C20H26N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-[4-(cyclohexylamino)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is a drug-like molecule.

MolName7-[4-(cyclohexylamino)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
MolecularFormulaC20H26N4O2
SmilesO=C(Nc1cc2c3)Nc1nc2ccc3OCCCCNC1CCCCC1
InChIInChI=1S/C20H26N4O2/c25-20-23-18-13-14-12-16(8-9-17(14)22-19(18)24-20)26-11-5-4-10-21-15-6-2-1-3-7-15/h8-9,12-13,15,21H,1-7,10-11H2,(H2,22,23,24,25)
InChIKKVMPFBHHEKQZRK-UHFFFAOYSA-N
TotalMolweight354.452
Molweight354.452
MonoisotopicMass354.205576
CLogP3.0465
CLogS-5.706
H Acceptors6
H Donors3
TotalSurfaceArea278.09
Relative PSA0.24593
PolarSurfaceArea75.28
Druglikeness-6.3534
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms12
Symmetricatoms2
Amides2
Amines1
AlkylAmines1
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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