1-(7-amino-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxamide

Formula:C21H13N5O3 Mutagenic:high Tumorigenic:none Reproductive Effective:low 1-(7-amino-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.

MolName	1-(7-amino-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
MolecularFormula	C21H13N5O3
Smiles	NC(c(nc1-c2ccc(C(C=C(C3=O)N)=O)c3n2)cc2c1[nH]c1c2cccc1)=O
InChI	InChI=1S/C21H13N5O3/c22-12-8-16(27)10-5-6-14(25-18(10)20(12)28)19-17-11(7-15(26-19)21(23)29)9-3-1-2-4-13(9)24-17/h1-8,24H,22H2,(H2,23,29)
InChIK	MKQANAVTZDPQCJ-UHFFFAOYSA-N
TotalMolweight	383.366
Molweight	383.366
MonoisotopicMass	383.10184
CLogP	0.9328
CLogS	-4.892
H Acceptors	8
H Donors	3
TotalSurfaceArea	270.81
Relative PSA	0.3899
PolarSurfaceArea	144.82
Druglikeness	0.55878
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Amides	1
Aromatic Nitrogens	3
StereoCon

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