2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone

C104H105BrClF2N13O6S6 — CID 161446819

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESCC(F)(F)c1ccc(SCC(=O)N2CCCc3ccccc32)nc1.Cc1ccc(SCC(=O)N2CCCc3cccc(C)c32)nc1.Cc1cccc2c1N(C(=O)CSc1ccc(Br)cn1)CCC2.Cc1cccc2c1N(C(=O)CSc1ccc(C#N)cn1)CCC2.Cc1cccc2c1N(C(=O)CSc1ccccn1)CCC2.O=C(CSc1ccc(Cl)cn1)N1CCCc2ccccc21
InChIInChI=1S/C18H18F2N2OS.C18H17N3OS.C18H20N2OS.C17H17BrN2OS.C17H18N2OS.C16H15ClN2OS/c1-18(19,20)14-8-9-16(21-11-14)24-12-17(23)22-10-4-6-13-5-2-3-7-15(13)22;1-13-4-2-5-15-6-3-9-21(18(13)15)17(22)12-23-16-8-7-14(10-19)11-20-16;1-13-8-9-16(19-11-13)22-12-17(21)20-10-4-7-15-6-3-5-14(2)18(15)20;1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15;1-13-6-4-7-14-8-5-11-19(17(13)14)16(20)12-21-15-9-2-3-10-18-15;17-13-7-8-15(18-10-13)21-11-16(20)19-9-3-5-12-4-1-2-6-14(12)19/h2-3,5,7-9,11H,4,6,10,12H2,1H3;2,4-5,7-8,11H,3,6,9,12H2,1H3;3,5-6,8-9,11H,4,7,10,12H2,1-2H3;2,4-5,7-8,10H,3,6,9,11H2,1H3;2-4,6-7,9-10H,5,8,11-12H2,1H3;1-2,4,6-8,10H,3,5,9,11H2
InChIKeyVZZRVKSBCYANOK-UHFFFAOYSA-N
MW1978.82 g/mol
LogP22.86
Rot. Bonds19

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone

2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 161446819) has the molecular formula C104H105BrClF2N13O6S6 and a molecular weight of 1978.82 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone
PubChem CID161446819
Molecular FormulaC104H105BrClF2N13O6S6
Molecular Weight1978.82 g/mol
Exact Mass1975.55
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone
SMILESCC(F)(F)c1ccc(SCC(=O)N2CCCc3ccccc32)nc1.Cc1ccc(SCC(=O)N2CCCc3cccc(C)c32)nc1.Cc1cccc2c1N(C(=O)CSc1ccc(Br)cn1)CCC2.Cc1cccc2c1N(C(=O)CSc1ccc(C#N)cn1)CCC2.Cc1cccc2c1N(C(=O)CSc1ccccn1)CCC2.O=C(CSc1ccc(Cl)cn1)N1CCCc2ccccc21
InChIInChI=1S/C18H18F2N2OS.C18H17N3OS.C18H20N2OS.C17H17BrN2OS.C17H18N2OS.C16H15ClN2OS/c1-18(19,20)14-8-9-16(21-11-14)24-12-17(23)22-10-4-6-13-5-2-3-7-15(13)22;1-13-4-2-5-15-6-3-9-21(18(13)15)17(22)12-23-16-8-7-14(10-19)11-20-16;1-13-8-9-16(19-11-13)22-12-17(21)20-10-4-7-15-6-3-5-14(2)18(15)20;1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15;1-13-6-4-7-14-8-5-11-19(17(13)14)16(20)12-21-15-9-2-3-10-18-15;17-13-7-8-15(18-10-13)21-11-16(20)19-9-3-5-12-4-1-2-6-14(12)19/h2-3,5,7-9,11H,4,6,10,12H2,1H3;2,4-5,7-8,11H,3,6,9,12H2,1H3;3,5-6,8-9,11H,4,7,10,12H2,1-2H3;2,4-5,7-8,10H,3,6,9,11H2,1H3;2-4,6-7,9-10H,5,8,11-12H2,1H3;1-2,4,6-8,10H,3,5,9,11H2
InChIKeyVZZRVKSBCYANOK-UHFFFAOYSA-N
XLogP22.86
TPSA222.99 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms133
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.82
LogP ≤ 522.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone (CID 161446819) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone is CC(F)(F)c1ccc(SCC(=O)N2CCCc3ccccc32)nc1.Cc1ccc(SCC(=O)N2CCCc3cccc(C)c32)nc1.Cc1cccc2c1N(C(=O)CSc1ccc(Br)cn1)CCC2.Cc1cccc2c1N(C(=O)CSc1ccc(C#N)cn1)CCC2.Cc1cccc2c1N(C(=O)CSc1ccccn1)CCC2.O=C(CSc1ccc(Cl)cn1)N1CCCc2ccccc21.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is VZZRVKSBCYANOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2OS.C18H17N3OS.C18H20N2OS.C17H17BrN2OS.C17H18N2OS.C16H15ClN2OS/c1-18(19,20)14-8-9-16(21-11-14)24-12-17(23)22-10-4-6-13-5-2-3-7-15(13)22;1-13-4-2-5-15-6-3-9-21(18(13)15)17(22)12-23-16-8-7-14(10-19)11-20-16;1-13-8-9-16(19-11-13)22-12-17(21)20-10-4-7-15-6-3-5-14(2)18(15)20;1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15;1-13-6-4-7-14-8-5-11-19(17(13)14)16(20)12-21-15-9-2-3-10-18-15;17-13-7-8-15(18-10-13)21-11-16(20)19-9-3-5-12-4-1-2-6-14(12)19/h2-3,5,7-9,11H,4,6,10,12H2,1H3;2,4-5,7-8,11H,3,6,9,12H2,1H3;3,5-6,8-9,11H,4,7,10,12H2,1-2H3;2,4-5,7-8,10H,3,6,9,11H2,1H3;2-4,6-7,9-10H,5,8,11-12H2,1H3;1-2,4,6-8,10H,3,5,9,11H2.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone?
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 1978.82 g/mol, XLogP of 22.86, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanone;6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 161446819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).