6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one

C18H19N3OS — CID 9420588

IUPAC6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C3=CSC4=N[C@@H]5CCCC[C@H]5N34)ccc2N1
InChIInChI=1S/C18H19N3OS/c22-17-8-6-11-9-12(5-7-13(11)19-17)16-10-23-18-20-14-3-1-2-4-15(14)21(16)18/h5,7,9-10,14-15H,1-4,6,8H2,(H,19,22)/t14-,15-/m1/s1
InChIKeyXORBJLGUXKONOK-HUUCEWRRSA-N
MW325.44 g/mol
LogP3.60
Rot. Bonds1

About 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 9420588) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID9420588
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C3=CSC4=N[C@@H]5CCCC[C@H]5N34)ccc2N1
InChIInChI=1S/C18H19N3OS/c22-17-8-6-11-9-12(5-7-13(11)19-17)16-10-23-18-20-14-3-1-2-4-15(14)21(16)18/h5,7,9-10,14-15H,1-4,6,8H2,(H,19,22)/t14-,15-/m1/s1
InChIKeyXORBJLGUXKONOK-HUUCEWRRSA-N
XLogP3.60
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 9420172
(4aR,8aS)-1-(2,5-difluorophenyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 9420263
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82468625
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
6-[(2,3-dimethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64760457
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazole-4-carbonitrile
CID 116889922

Frequently Asked Questions

What is the IUPAC name of 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 9420588) is 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C3=CSC4=N[C@@H]5CCCC[C@H]5N34)ccc2N1.
What is the InChIKey of 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XORBJLGUXKONOK-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-17-8-6-11-9-12(5-7-13(11)19-17)16-10-23-18-20-14-3-1-2-4-15(14)21(16)18/h5,7,9-10,14-15H,1-4,6,8H2,(H,19,22)/t14-,15-/m1/s1.
What are the key properties of 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 325.44 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 9420588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).