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

C126H93F2N25O10S3 — CID 159227231

IUPAC1-[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
SMILESCc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3nccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1.Cc1csc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/2C22H16N4O2.C21H16FN5O.C21H14FN3O2S.C21H18N4OS.C19H13N5O2S/c1-14-4-2-6-18(26-14)10-20(27)19-9-16(8-15-5-3-7-25-21(15)19)22(28)17-11-23-13-24-12-17;1-14-4-5-18(26-10-14)9-20(27)19-8-16(7-15-3-2-6-25-21(15)19)22(28)17-11-23-13-24-12-17;1-13-2-3-16(27-9-13)8-19(28)17-6-14(7-18-21(17)26-5-4-25-18)20(22)15-10-23-12-24-11-15;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;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;1-11-9-27-17(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/h2-9,11-13H,10H2,1H3;2-8,10-13H,9H2,1H3;2-7,9-12,20H,8H2,1H3;2-7,9-11H,8H2,1H3;3-7,9-12,14H,8H2,1-2H3;2-5,7-10H,6H2,1H3
InChIKeyKSLDQHNMWQZANW-UHFFFAOYSA-N
MW2251.49 g/mol
LogP21.78
Rot. Bonds30

About 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

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 (PubChem CID 159227231) has the molecular formula C126H93F2N25O10S3 and a molecular weight of 2251.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159227231
Molecular FormulaC126H93F2N25O10S3
Molecular Weight2251.49 g/mol
Exact Mass2249.67
IUPAC Name1-[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
SMILESCc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3nccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1.Cc1csc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/2C22H16N4O2.C21H16FN5O.C21H14FN3O2S.C21H18N4OS.C19H13N5O2S/c1-14-4-2-6-18(26-14)10-20(27)19-9-16(8-15-5-3-7-25-21(15)19)22(28)17-11-23-13-24-12-17;1-14-4-5-18(26-10-14)9-20(27)19-8-16(7-15-3-2-6-25-21(15)19)22(28)17-11-23-13-24-12-17;1-13-2-3-16(27-9-13)8-19(28)17-6-14(7-18-21(17)26-5-4-25-18)20(22)15-10-23-12-24-11-15;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;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;1-11-9-27-17(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/h2-9,11-13H,10H2,1H3;2-8,10-13H,9H2,1H3;2-7,9-12,20H,8H2,1H3;2-7,9-11H,8H2,1H3;3-7,9-12,14H,8H2,1-2H3;2-5,7-10H,6H2,1H3
InChIKeyKSLDQHNMWQZANW-UHFFFAOYSA-N
XLogP21.78
TPSA492.95 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002251.49
LogP ≤ 521.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 123832572
2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157741507
2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methylpyrimidin-2-yl)ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158029206
1-[3-Fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(3-fluoro-2-pyridinyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158079777
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-[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
2-[3,4-Difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone
CID 160853268
3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;3-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoxaline-5-carboxamide;N-[2-[3-[(dimethylamino)methyl]phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;bis(N-[2-[3-(piperidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide)
CID 161355856
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
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;methane;bis(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 157783731
2-(4-Methyl-1,3-thiazol-2-yl)-1-[7-(pyrimidine-5-carbonyl)quinoxalin-5-yl]ethanone
CID 157783732
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)nc1.Cc1ccc(CC(=O)c2cc(C(F)c3cncnc3)cc3nccnc23)nc1.Cc1cccc(CC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncc(F)c3)cc3cccnc23)n1.Cc1csc(CC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1.Cc1csc(CC(=O)c2cc(C(C)c3cncnc3)cc3cccnc23)n1.
What is the InChIKey of 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?
The InChIKey is KSLDQHNMWQZANW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N4O2.C21H16FN5O.C21H14FN3O2S.C21H18N4OS.C19H13N5O2S/c1-14-4-2-6-18(26-14)10-20(27)19-9-16(8-15-5-3-7-25-21(15)19)22(28)17-11-23-13-24-12-17;1-14-4-5-18(26-10-14)9-20(27)19-8-16(7-15-3-2-6-25-21(15)19)22(28)17-11-23-13-24-12-17;1-13-2-3-16(27-9-13)8-19(28)17-6-14(7-18-21(17)26-5-4-25-18)20(22)15-10-23-12-24-11-15;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;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;1-11-9-27-17(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/h2-9,11-13H,10H2,1H3;2-8,10-13H,9H2,1H3;2-7,9-12,20H,8H2,1H3;2-7,9-11H,8H2,1H3;3-7,9-12,14H,8H2,1-2H3;2-5,7-10H,6H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2251.49 g/mol, XLogP of 21.78, 30 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159227231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).