1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone

C152H123F5N28O9S3 — CID 160576040

IUPAC1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
SMILESCOC(c1cncnc1)c1cc(C(=O)Cc2ccc(C)cn2)c2ncccc2c1.COC(c1cncnc1)c1cc(C(=O)Cc2nc(C)cs2)c2ncccc2c1.Cc1ccc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)nc1.Cc1csc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C23H20N4O2.C23H20N4O.C22H16F2N4O.C22H17FN4O.C21H18N4O2S.C21H18N4OS.C20H14F2N4OS/c1-15-5-6-19(27-11-15)10-21(28)20-9-17(8-16-4-3-7-26-22(16)20)23(29-2)18-12-24-14-25-13-18;1-15-5-6-20(27-11-15)10-22(28)21-9-18(8-17-4-3-7-26-23(17)21)16(2)19-12-24-14-25-13-19;1-14-4-5-18(28-10-14)9-20(29)19-8-16(7-15-3-2-6-27-21(15)19)22(23,24)17-11-25-13-26-12-17;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;1-13-11-28-19(25-13)8-18(26)17-7-15(6-14-4-3-5-24-20(14)17)21(27-2)16-9-22-12-23-10-16;1-13-11-27-20(25-13)8-19(26)18-7-16(6-15-4-3-5-24-21(15)18)14(2)17-9-22-12-23-10-17;1-12-10-28-18(26-12)7-17(27)16-6-14(5-13-3-2-4-25-19(13)16)20(21,22)15-8-23-11-24-9-15/h3-9,11-14,23H,10H2,1-2H3;3-9,11-14,16H,10H2,1-2H3;2-8,10-13H,9H2,1H3;2-8,10-13,21H,9H2,1H3;3-7,9-12,21H,8H2,1-2H3;3-7,9-12,14H,8H2,1-2H3;2-6,8-11H,7H2,1H3
InChIKeyRBDXFBFTIDFSSD-UHFFFAOYSA-N
MW2677.03 g/mol
LogP29.37
Rot. Bonds37

About 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone

1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone (PubChem CID 160576040) has the molecular formula C152H123F5N28O9S3 and a molecular weight of 2677.03 g/mol. Its IUPAC name is 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone.

Molecular Properties

Compound Name1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
PubChem CID160576040
Molecular FormulaC152H123F5N28O9S3
Molecular Weight2677.03 g/mol
Exact Mass2674.91
IUPAC Name1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
SMILESCOC(c1cncnc1)c1cc(C(=O)Cc2ccc(C)cn2)c2ncccc2c1.COC(c1cncnc1)c1cc(C(=O)Cc2nc(C)cs2)c2ncccc2c1.Cc1ccc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)nc1.Cc1csc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C23H20N4O2.C23H20N4O.C22H16F2N4O.C22H17FN4O.C21H18N4O2S.C21H18N4OS.C20H14F2N4OS/c1-15-5-6-19(27-11-15)10-21(28)20-9-17(8-16-4-3-7-26-22(16)20)23(29-2)18-12-24-14-25-13-18;1-15-5-6-20(27-11-15)10-22(28)21-9-18(8-17-4-3-7-26-23(17)21)16(2)19-12-24-14-25-13-19;1-14-4-5-18(28-10-14)9-20(29)19-8-16(7-15-3-2-6-27-21(15)19)22(23,24)17-11-25-13-26-12-17;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;1-13-11-28-19(25-13)8-18(26)17-7-15(6-14-4-3-5-24-20(14)17)21(27-2)16-9-22-12-23-10-16;1-13-11-27-20(25-13)8-19(26)18-7-16(6-15-4-3-5-24-21(15)18)14(2)17-9-22-12-23-10-17;1-12-10-28-18(26-12)7-17(27)16-6-14(5-13-3-2-4-25-19(13)16)20(21,22)15-8-23-11-24-9-15/h3-9,11-14,23H,10H2,1-2H3;3-9,11-14,16H,10H2,1-2H3;2-8,10-13H,9H2,1H3;2-8,10-13,21H,9H2,1H3;3-7,9-12,21H,8H2,1-2H3;3-7,9-12,14H,8H2,1-2H3;2-6,8-11H,7H2,1H3
InChIKeyRBDXFBFTIDFSSD-UHFFFAOYSA-N
XLogP29.37
TPSA498.87 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds37
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002677.03
LogP ≤ 529.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
CID 157796623
1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone
CID 158804714
1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone
CID 160524514
1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)-hydroxymethyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
CID 161619557
1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone
CID 161811937
1-[6-[Methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 153090856
1-[6-(5-Fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;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-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
CID 158008947
1-[6-(5-Fluoropyridine-3-carbonyl)quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
CID 159227231
1-[6-[Fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(6-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 159773991
1-[7-[Fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
CID 159802157
1-[6-[Fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[7-[fluoro(pyrimidin-5-yl)methyl]quinoxalin-5-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(6-methyl-2-pyridinyl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
CID 160109327
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;1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-[hydroxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;methane
CID 160392915

Frequently Asked Questions

What is the IUPAC name of 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone?
The IUPAC name of 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone (CID 160576040) is 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone.
What is the SMILES notation for 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone?
The canonical SMILES for 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone is COC(c1cncnc1)c1cc(C(=O)Cc2ccc(C)cn2)c2ncccc2c1.COC(c1cncnc1)c1cc(C(=O)Cc2nc(C)cs2)c2ncccc2c1.Cc1ccc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)nc1.Cc1csc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1.
What is the InChIKey of 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone?
The InChIKey is RBDXFBFTIDFSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2.C23H20N4O.C22H16F2N4O.C22H17FN4O.C21H18N4O2S.C21H18N4OS.C20H14F2N4OS/c1-15-5-6-19(27-11-15)10-21(28)20-9-17(8-16-4-3-7-26-22(16)20)23(29-2)18-12-24-14-25-13-18;1-15-5-6-20(27-11-15)10-22(28)21-9-18(8-17-4-3-7-26-23(17)21)16(2)19-12-24-14-25-13-19;1-14-4-5-18(28-10-14)9-20(29)19-8-16(7-15-3-2-6-27-21(15)19)22(23,24)17-11-25-13-26-12-17;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;1-13-11-28-19(25-13)8-18(26)17-7-15(6-14-4-3-5-24-20(14)17)21(27-2)16-9-22-12-23-10-16;1-13-11-27-20(25-13)8-19(26)18-7-16(6-15-4-3-5-24-21(15)18)14(2)17-9-22-12-23-10-17;1-12-10-28-18(26-12)7-17(27)16-6-14(5-13-3-2-4-25-19(13)16)20(21,22)15-8-23-11-24-9-15/h3-9,11-14,23H,10H2,1-2H3;3-9,11-14,16H,10H2,1-2H3;2-8,10-13H,9H2,1H3;2-8,10-13,21H,9H2,1H3;3-7,9-12,21H,8H2,1-2H3;3-7,9-12,14H,8H2,1-2H3;2-6,8-11H,7H2,1H3.
What are the key properties of 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone?
1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone has a molecular weight of 2677.03 g/mol, XLogP of 29.37, 37 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[difluoro(pyrimidin-5-yl)methyl]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;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone is sourced from PubChem (CID 160576040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).