bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone

C150H106F4N28O13S2 — CID 159699472

IUPACbis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
SMILESCc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1
InChIInChI=1S/2C23H16FN3O2.C22H17FN4O.C21H14FN3O2S.2C21H15N5O2.C19H13N5O2S/c2*1-14-4-2-6-19(27-14)11-21(28)20-10-16(8-15-5-3-7-26-22(15)20)23(29)17-9-18(24)13-25-12-17;1-14-4-5-18(27-10-14)9-20(28)19-8-16(7-15-3-2-6-26-22(15)19)21(23)17-11-24-13-25-12-17;1-12-11-28-19(25-12)8-18(26)17-7-14(5-13-3-2-4-24-20(13)17)21(27)15-6-16(22)10-23-9-15;2*1-13-2-3-16(26-9-13)8-19(27)17-6-14(7-18-20(17)25-5-4-24-18)21(28)15-10-22-12-23-11-15;1-11-9-27-17(24-11)6-16(25)14-4-12(5-15-18(14)23-3-2-22-15)19(26)13-7-20-10-21-8-13/h2*2-10,12-13H,11H2,1H3;2-8,10-13,21H,9H2,1H3;2-7,9-11H,8H2,1H3;2*2-7,9-12H,8H2,1H3;2-5,7-10H,6H2,1H3
InChIKeyMXKZMBZRUILLMP-UHFFFAOYSA-N
MW2648.81 g/mol
LogP25.06
Rot. Bonds35

About bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone

bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone (PubChem CID 159699472) has the molecular formula C150H106F4N28O13S2 and a molecular weight of 2648.81 g/mol. Its IUPAC name is bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone.

Molecular Properties

Compound Namebis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
PubChem CID159699472
Molecular FormulaC150H106F4N28O13S2
Molecular Weight2648.81 g/mol
Exact Mass2646.79
IUPAC Namebis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
SMILESCc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1
InChIInChI=1S/2C23H16FN3O2.C22H17FN4O.C21H14FN3O2S.2C21H15N5O2.C19H13N5O2S/c2*1-14-4-2-6-19(27-14)11-21(28)20-10-16(8-15-5-3-7-26-22(15)20)23(29)17-9-18(24)13-25-12-17;1-14-4-5-18(27-10-14)9-20(28)19-8-16(7-15-3-2-6-26-22(15)19)21(23)17-11-24-13-25-12-17;1-12-11-28-19(25-12)8-18(26)17-7-14(5-13-3-2-4-24-20(13)17)21(27)15-6-16(22)10-23-9-15;2*1-13-2-3-16(26-9-13)8-19(27)17-6-14(7-18-20(17)25-5-4-24-18)21(28)15-10-22-12-23-11-15;1-11-9-27-17(24-11)6-16(25)14-4-12(5-15-18(14)23-3-2-22-15)19(26)13-7-20-10-21-8-13/h2*2-10,12-13H,11H2,1H3;2-8,10-13,21H,9H2,1H3;2-7,9-11H,8H2,1H3;2*2-7,9-12H,8H2,1H3;2-5,7-10H,6H2,1H3
InChIKeyMXKZMBZRUILLMP-UHFFFAOYSA-N
XLogP25.06
TPSA582.83 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds35
Heavy Atoms197
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002648.81
LogP ≤ 525.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone?
The IUPAC name of bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone (CID 159699472) is bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone.
What is the SMILES notation for bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone?
The canonical SMILES for bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone is Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1.
What is the InChIKey of bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone?
The InChIKey is MXKZMBZRUILLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16FN3O2.C22H17FN4O.C21H14FN3O2S.2C21H15N5O2.C19H13N5O2S/c2*1-14-4-2-6-19(27-14)11-21(28)20-10-16(8-15-5-3-7-26-22(15)20)23(29)17-9-18(24)13-25-12-17;1-14-4-5-18(27-10-14)9-20(28)19-8-16(7-15-3-2-6-26-22(15)19)21(23)17-11-24-13-25-12-17;1-12-11-28-19(25-12)8-18(26)17-7-14(5-13-3-2-4-24-20(13)17)21(27)15-6-16(22)10-23-9-15;2*1-13-2-3-16(26-9-13)8-19(27)17-6-14(7-18-20(17)25-5-4-24-18)21(28)15-10-22-12-23-11-15;1-11-9-27-17(24-11)6-16(25)14-4-12(5-15-18(14)23-3-2-22-15)19(26)13-7-20-10-21-8-13/h2*2-10,12-13H,11H2,1H3;2-8,10-13,21H,9H2,1H3;2-7,9-11H,8H2,1H3;2*2-7,9-12H,8H2,1H3;2-5,7-10H,6H2,1H3.
What are the key properties of bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone?
bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone has a molecular weight of 2648.81 g/mol, XLogP of 25.06, 35 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone is sourced from PubChem (CID 159699472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).