8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

C107H95ClN12O7S — CID 159801296

About 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (PubChem CID 159801296) has the molecular formula C107H95ClN12O7S and a molecular weight of 1728.53 g/mol. Its IUPAC name is 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.

Molecular Properties

• Compound Name: 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
• PubChem CID: 159801296
• Molecular Formula: C107H95ClN12O7S
• Molecular Weight: 1728.53 g/mol
• Exact Mass: 1726.69
• IUPAC Name: 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
• SMILES: COc1cncc(-c2cc3c4c(c2)CCC(=O)N4CCC3)c1.COc1cncc(-c2cc3c4c(c2)CCN4C(=O)CC3)c1.O=C1CCc2cc(-c3cccnc3)cc3c2N1CCC3.O=C1CCc2cc(-c3cncc4ccccc34)cc3c2N1CC3.O=C1CCc2cc(-c3cncc4ccccc34)cc3c2N1CCC3.S=C1CCc2cc(-c3cccnc3)cc(Cl)c2N1
• InChI: InChI=1S/C21H18N2O.C20H16N2O.C18H18N2O2.C17H16N2O2.C17H16N2O.C14H11ClN2S/c24-20-8-7-15-11-17(10-14-5-3-9-23(20)21(14)15)19-13-22-12-16-4-1-2-6-18(16)19;23-19-6-5-13-9-16(10-14-7-8-22(19)20(13)14)18-12-21-11-15-3-1-2-4-17(15)18;1-22-16-9-15(10-19-11-16)14-7-12-3-2-6-20-17(21)5-4-13(8-14)18(12)20;1-21-15-8-14(9-18-10-15)13-6-11-2-3-16(20)19-5-4-12(7-13)17(11)19;20-16-6-5-13-10-15(14-3-1-7-18-11-14)9-12-4-2-8-19(16)17(12)13;15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,4,6,10-13H,3,5,7-9H2;1-4,9-12H,5-8H2;7-11H,2-6H2,1H3;6-10H,2-5H2,1H3;1,3,7,9-11H,2,4-6,8H2;1-2,5-8H,3-4H2,(H,17,18)
• InChIKey: NJVANGQLZQXEKE-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 209.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1728.53
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?

The IUPAC name of 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (CID 159801296) is 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.

What is the SMILES notation for 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?

The canonical SMILES for 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is COc1cncc(-c2cc3c4c(c2)CCC(=O)N4CCC3)c1.COc1cncc(-c2cc3c4c(c2)CCN4C(=O)CC3)c1.O=C1CCc2cc(-c3cccnc3)cc3c2N1CCC3.O=C1CCc2cc(-c3cncc4ccccc34)cc3c2N1CC3.O=C1CCc2cc(-c3cncc4ccccc34)cc3c2N1CCC3.S=C1CCc2cc(-c3cccnc3)cc(Cl)c2N1.

What is the InChIKey of 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?

The InChIKey is NJVANGQLZQXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O.C20H16N2O.C18H18N2O2.C17H16N2O2.C17H16N2O.C14H11ClN2S/c24-20-8-7-15-11-17(10-14-5-3-9-23(20)21(14)15)19-13-22-12-16-4-1-2-6-18(16)19;23-19-6-5-13-9-16(10-14-7-8-22(19)20(13)14)18-12-21-11-15-3-1-2-4-17(15)18;1-22-16-9-15(10-19-11-16)14-7-12-3-2-6-20-17(21)5-4-13(8-14)18(12)20;1-21-15-8-14(9-18-10-15)13-6-11-2-3-16(20)19-5-4-12(7-13)17(11)19;20-16-6-5-13-10-15(14-3-1-7-18-11-14)9-12-4-2-8-19(16)17(12)13;15-12-7-11(10-2-1-5-16-8-10)6-9-3-4-13(18)17-14(9)12/h1-2,4,6,10-13H,3,5,7-9H2;1-4,9-12H,5-8H2;7-11H,2-6H2,1H3;6-10H,2-5H2,1H3;1,3,7,9-11H,2,4-6,8H2;1-2,5-8H,3-4H2,(H,17,18).

What are the key properties of 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?

8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one has a molecular weight of 1728.53 g/mol, XLogP of 20.50, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione;6-isoquinolin-4-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-isoquinolin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;6-(5-methoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(5-methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one;7-pyridin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is sourced from PubChem (CID 159801296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).