S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate

C152H176N28O27S12 — CID 158331345

IUPACS-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCCN4CCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCN4CCN(C)CC4)ccc3c2)nc1
InChIInChI=1S/C26H31N5O4S2.C26H30N4O5S2.C25H29N5O5S2.2C25H29N5O4S2.C25H28N4O5S2/c1-19(32)36-18-24(33)21-7-11-26(28-17-21)30-37(34,35)22-8-9-23-20(16-22)6-10-25(29-23)27-12-5-15-31-13-3-2-4-14-31;1-19(31)36-18-24(32)21-6-10-25(27-17-21)29-37(33,34)22-8-9-23-20(16-22)7-11-26(28-23)35-15-5-14-30-12-3-2-4-13-30;1-18(31)36-17-23(32)20-3-7-24(26-16-20)28-37(33,34)21-5-6-22-19(15-21)4-8-25(27-22)35-14-13-30-11-9-29(2)10-12-30;1-18(31)35-17-23(32)20-6-10-25(27-16-20)29-36(33,34)21-7-8-22-19(15-21)5-9-24(28-22)26-11-4-14-30-12-2-3-13-30;1-18(31)35-17-23(32)20-6-10-25(27-16-20)29-36(33,34)21-7-8-22-19(15-21)5-9-24(28-22)26-11-14-30-12-3-2-4-13-30;1-18(30)35-17-23(31)20-5-9-24(26-16-20)28-36(32,33)21-7-8-22-19(15-21)6-10-25(27-22)34-14-13-29-11-3-2-4-12-29/h6-11,16-17H,2-5,12-15,18H2,1H3,(H,27,29)(H,28,30);6-11,16-17H,2-5,12-15,18H2,1H3,(H,27,29);3-8,15-16H,9-14,17H2,1-2H3,(H,26,28);2*5-10,15-16H,2-4,11-14,17H2,1H3,(H,26,28)(H,27,29);5-10,15-16H,2-4,11-14,17H2,1H3,(H,26,28)
InChIKeyGQAWXDSNZPAMSC-UHFFFAOYSA-N
MW3212.05 g/mol
LogP22.19
Rot. Bonds63

About S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate

S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate (PubChem CID 158331345) has the molecular formula C152H176N28O27S12 and a molecular weight of 3212.05 g/mol. Its IUPAC name is S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
PubChem CID158331345
Molecular FormulaC152H176N28O27S12
Molecular Weight3212.05 g/mol
Exact Mass3208.99
IUPAC NameS-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCCN4CCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCN4CCN(C)CC4)ccc3c2)nc1
InChIInChI=1S/C26H31N5O4S2.C26H30N4O5S2.C25H29N5O5S2.2C25H29N5O4S2.C25H28N4O5S2/c1-19(32)36-18-24(33)21-7-11-26(28-17-21)30-37(34,35)22-8-9-23-20(16-22)6-10-25(29-23)27-12-5-15-31-13-3-2-4-14-31;1-19(31)36-18-24(32)21-6-10-25(27-17-21)29-37(33,34)22-8-9-23-20(16-22)7-11-26(28-23)35-15-5-14-30-12-3-2-4-13-30;1-18(31)36-17-23(32)20-3-7-24(26-16-20)28-37(33,34)21-5-6-22-19(15-21)4-8-25(27-22)35-14-13-30-11-9-29(2)10-12-30;1-18(31)35-17-23(32)20-6-10-25(27-16-20)29-36(33,34)21-7-8-22-19(15-21)5-9-24(28-22)26-11-4-14-30-12-2-3-13-30;1-18(31)35-17-23(32)20-6-10-25(27-16-20)29-36(33,34)21-7-8-22-19(15-21)5-9-24(28-22)26-11-14-30-12-3-2-4-13-30;1-18(30)35-17-23(31)20-5-9-24(26-16-20)28-36(32,33)21-7-8-22-19(15-21)6-10-25(27-22)34-14-13-29-11-3-2-4-12-29/h6-11,16-17H,2-5,12-15,18H2,1H3,(H,27,29)(H,28,30);6-11,16-17H,2-5,12-15,18H2,1H3,(H,27,29);3-8,15-16H,9-14,17H2,1-2H3,(H,26,28);2*5-10,15-16H,2-4,11-14,17H2,1H3,(H,26,28)(H,27,29);5-10,15-16H,2-4,11-14,17H2,1H3,(H,26,28)
InChIKeyGQAWXDSNZPAMSC-UHFFFAOYSA-N
XLogP22.19
TPSA723.00 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds63
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003212.05
LogP ≤ 522.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate with MolForge

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Launch Full Analysis

Related Compounds

S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 89373414
S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate
CID 89373416
S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 89373417
S-[2-oxo-2-[6-[[2-(2-pyrrolidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 89373421
S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 89373430
S-[2-[6-[[2-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate
CID 89373432
S-[2-oxo-2-[6-[[2-(2-pyridin-3-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 89373440
S-[2-oxo-2-[6-[(2-phenoxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 89373448
S-[2-oxo-2-[6-[[2-(2-phenylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 89373451
S-[2-oxo-2-[6-[(2-pyridin-3-yloxyquinolin-6-yl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 89373454
S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethylamino]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[3-(4-methylpiperazin-1-yl)isoquinolin-7-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[2-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[2-[3-(4-methylpiperazin-1-yl)propylamino]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-pyrrolidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
CID 158109268
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-(2-oxo-1,4-diphenylbutyl)-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 158136004

Frequently Asked Questions

What is the IUPAC name of S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The IUPAC name of S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate (CID 158331345) is S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The canonical SMILES for S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate is CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCCN4CCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(NCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCN4CCCCC4)ccc3c2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(OCCN4CCN(C)CC4)ccc3c2)nc1.
What is the InChIKey of S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The InChIKey is GQAWXDSNZPAMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4S2.C26H30N4O5S2.C25H29N5O5S2.2C25H29N5O4S2.C25H28N4O5S2/c1-19(32)36-18-24(33)21-7-11-26(28-17-21)30-37(34,35)22-8-9-23-20(16-22)6-10-25(29-23)27-12-5-15-31-13-3-2-4-14-31;1-19(31)36-18-24(32)21-6-10-25(27-17-21)29-37(33,34)22-8-9-23-20(16-22)7-11-26(28-23)35-15-5-14-30-12-3-2-4-13-30;1-18(31)36-17-23(32)20-3-7-24(26-16-20)28-37(33,34)21-5-6-22-19(15-21)4-8-25(27-22)35-14-13-30-11-9-29(2)10-12-30;1-18(31)35-17-23(32)20-6-10-25(27-16-20)29-36(33,34)21-7-8-22-19(15-21)5-9-24(28-22)26-11-4-14-30-12-2-3-13-30;1-18(31)35-17-23(32)20-6-10-25(27-16-20)29-36(33,34)21-7-8-22-19(15-21)5-9-24(28-22)26-11-14-30-12-3-2-4-13-30;1-18(30)35-17-23(31)20-5-9-24(26-16-20)28-36(32,33)21-7-8-22-19(15-21)6-10-25(27-22)34-14-13-29-11-3-2-4-12-29/h6-11,16-17H,2-5,12-15,18H2,1H3,(H,27,29)(H,28,30);6-11,16-17H,2-5,12-15,18H2,1H3,(H,27,29);3-8,15-16H,9-14,17H2,1-2H3,(H,26,28);2*5-10,15-16H,2-4,11-14,17H2,1H3,(H,26,28)(H,27,29);5-10,15-16H,2-4,11-14,17H2,1H3,(H,26,28).
What are the key properties of S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate has a molecular weight of 3212.05 g/mol, XLogP of 22.19, 63 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[6-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]quinolin-6-yl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(2-piperidin-1-ylethylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropoxy)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-piperidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[[2-(3-pyrrolidin-1-ylpropylamino)quinolin-6-yl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate is sourced from PubChem (CID 158331345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).