8-methoxy-3-(quinolin-2-ylmethylideneamino)-5H-pyrimido[5,4-b]indol-4-one

Formula:C21H15N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 8-methoxy-3-(quinolin-2-ylmethylideneamino)-5H-pyrimido[5,4-b]indol-4-one is a drug-like molecule.

MolName	8-methoxy-3-(quinolin-2-ylmethylideneamino)-5H-pyrimido[5,4-b]indol-4-one
MolecularFormula	C21H15N5O2
Smiles	COc(cc1)cc2c1[nH]c(C1=O)c2N=CN1N=Cc1nc2ccccc2cc1
InChI	InChI=1S/C21H15N5O2/c1-28-15-8-9-18-16(10-15)19-20(25-18)21(27)26(12-22-19)23-11-14-7-6-13-4-2-3-5-17(13)24-14/h2-12,25H,1H3
InChIK	LJBMKPRASZTLJI-UHFFFAOYSA-N
TotalMolweight	369.383
Molweight	369.383
MonoisotopicMass	369.122575
CLogP	2.8654
CLogS	-5.096
H Acceptors	7
H Donors	1
TotalSurfaceArea	276.88
Relative PSA	0.26932
PolarSurfaceArea	82.94
Druglikeness	5.2028
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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