[6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone

C239H233FN32O22S7 — CID 167567659

IUPAC[6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone
SMILESC#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.C#CC1(c2ccccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.C#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.CC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.CC1(C)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)C1.CC1(F)CC12CCN(C(=O)c1cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n1)CC2.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3nc4ccccc4s3)ccc2n1)N1CCC(C2=NCC=C2)CC1
InChIInChI=1S/C37H36N4O4S.C37H34N4O3S.C36H33N5O3S.C34H32N6O3S.C33H33N5O3S.C32H33FN4O3S.C30H32N4O3S/c1-25(42)37(26-10-4-2-5-11-26)16-20-41(21-17-37)36(44)32-23-29(35(43)40-18-8-3-9-19-40)28-22-27(14-15-30(28)38-32)45-24-34-39-31-12-6-7-13-33(31)46-34;1-2-37(26-11-5-3-6-12-26)17-21-41(22-18-37)36(43)32-24-29(35(42)40-19-9-4-10-20-40)28-23-27(15-16-30(28)38-32)44-25-34-39-31-13-7-8-14-33(31)45-34;1-2-36(32-12-6-7-17-37-32)15-20-41(21-16-36)35(43)30-23-27(34(42)40-18-8-3-9-19-40)26-22-25(13-14-28(26)38-30)44-24-33-39-29-10-4-5-11-31(29)45-33;1-2-34(40-18-8-15-35-40)13-19-39(20-14-34)33(42)29-22-26(32(41)38-16-6-3-7-17-38)25-21-24(11-12-27(25)36-29)43-23-31-37-28-9-4-5-10-30(28)44-31;39-32(37-15-4-1-5-16-37)25-20-29(33(40)38-17-12-22(13-18-38)26-8-6-14-34-26)35-27-11-10-23(19-24(25)27)41-21-31-36-28-7-2-3-9-30(28)42-31;1-31(33)20-32(31)11-15-37(16-12-32)30(39)26-18-23(29(38)36-13-5-2-6-14-36)22-17-21(9-10-24(22)34-26)40-19-28-35-25-7-3-4-8-27(25)41-28;1-30(2)12-15-34(19-30)29(36)25-17-22(28(35)33-13-6-3-7-14-33)21-16-20(10-11-23(21)31-25)37-18-27-32-24-8-4-5-9-26(24)38-27/h2,4-7,10-15,22-23H,3,8-9,16-21,24H2,1H3;1,3,5-8,11-16,23-24H,4,9-10,17-22,25H2;1,4-7,10-14,17,22-23H,3,8-9,15-16,18-21,24H2;1,4-5,8-12,15,18,21-22H,3,6-7,13-14,16-17,19-20,23H2;2-3,6-11,19-20,22H,1,4-5,12-18,21H2;3-4,7-10,17-18H,2,5-6,11-16,19-20H2,1H3;4-5,8-11,16-17H,3,6-7,12-15,18-19H2,1-2H3
InChIKeyFMLSSGMJIPQKQF-UHFFFAOYSA-N
MW4149.16 g/mol
LogP43.67
Rot. Bonds41

About [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone

[6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 167567659) has the molecular formula C239H233FN32O22S7 and a molecular weight of 4149.16 g/mol. Its IUPAC name is [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone
PubChem CID167567659
Molecular FormulaC239H233FN32O22S7
Molecular Weight4149.16 g/mol
Exact Mass4145.61
IUPAC Name[6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone
SMILESC#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.C#CC1(c2ccccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.C#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.CC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.CC1(C)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)C1.CC1(F)CC12CCN(C(=O)c1cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n1)CC2.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3nc4ccccc4s3)ccc2n1)N1CCC(C2=NCC=C2)CC1
InChIInChI=1S/C37H36N4O4S.C37H34N4O3S.C36H33N5O3S.C34H32N6O3S.C33H33N5O3S.C32H33FN4O3S.C30H32N4O3S/c1-25(42)37(26-10-4-2-5-11-26)16-20-41(21-17-37)36(44)32-23-29(35(43)40-18-8-3-9-19-40)28-22-27(14-15-30(28)38-32)45-24-34-39-31-12-6-7-13-33(31)46-34;1-2-37(26-11-5-3-6-12-26)17-21-41(22-18-37)36(43)32-24-29(35(42)40-19-9-4-10-20-40)28-23-27(15-16-30(28)38-32)44-25-34-39-31-13-7-8-14-33(31)45-34;1-2-36(32-12-6-7-17-37-32)15-20-41(21-16-36)35(43)30-23-27(34(42)40-18-8-3-9-19-40)26-22-25(13-14-28(26)38-30)44-24-33-39-29-10-4-5-11-31(29)45-33;1-2-34(40-18-8-15-35-40)13-19-39(20-14-34)33(42)29-22-26(32(41)38-16-6-3-7-17-38)25-21-24(11-12-27(25)36-29)43-23-31-37-28-9-4-5-10-30(28)44-31;39-32(37-15-4-1-5-16-37)25-20-29(33(40)38-17-12-22(13-18-38)26-8-6-14-34-26)35-27-11-10-23(19-24(25)27)41-21-31-36-28-7-2-3-9-30(28)42-31;1-31(33)20-32(31)11-15-37(16-12-32)30(39)26-18-23(29(38)36-13-5-2-6-14-36)22-17-21(9-10-24(22)34-26)40-19-28-35-25-7-3-4-8-27(25)41-28;1-30(2)12-15-34(19-30)29(36)25-17-22(28(35)33-13-6-3-7-14-33)21-16-20(10-11-23(21)31-25)37-18-27-32-24-8-4-5-9-26(24)38-27/h2,4-7,10-15,22-23H,3,8-9,16-21,24H2,1H3;1,3,5-8,11-16,23-24H,4,9-10,17-22,25H2;1,4-7,10-14,17,22-23H,3,8-9,15-16,18-21,24H2;1,4-5,8-12,15,18,21-22H,3,6-7,13-14,16-17,19-20,23H2;2-3,6-11,19-20,22H,1,4-5,12-18,21H2;3-4,7-10,17-18H,2,5-6,11-16,19-20H2,1H3;4-5,8-11,16-17H,3,6-7,12-15,18-19H2,1-2H3
InChIKeyFMLSSGMJIPQKQF-UHFFFAOYSA-N
XLogP43.67
TPSA589.55 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms301
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004149.16
LogP ≤ 543.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[6-(1,3-Benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-(4-fluoropiperidin-1-yl)methanone
CID 155343613
[6-(1,3-Benzothiazol-2-ylmethoxy)-7-fluoro-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 155343648
[6-(1,3-Benzothiazol-2-ylmethoxy)-2-[4-(4-fluoropyrazol-1-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 164830129
[6-(1,3-Benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-(3,3-difluoropiperidin-1-yl)methanone
CID 164830139
[2-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carbonyl]-6-(1,3-benzothiazol-2-ylmethoxy)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(3,3-difluorobutan-2-yl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2,2-difluoropropyl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2-fluoropropyl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(4-methylpyrazol-1-yl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 167565088
(4-Aminopiperidin-1-yl)-[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone
CID 155355944
5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(1,3-benzoxazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157563819
5-(1,3-Benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158369348
5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-fluorophenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chlorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-methoxy-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158525807
5-(1,3-Benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(1,3-benzoxazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158885072
2-Tert-butyl-1,3-dimethylpyridin-1-ium;4-tert-butyl-1,2-dimethylpyridin-1-ium;2-tert-butyl-3,5-dimethyl-1,3,4-thiadiazol-3-ium;2-tert-butyl-6-methoxy-1-methylquinolin-1-ium;2-tert-butyl-3-methyl-1,3-benzothiazol-3-ium;2-tert-butyl-3-methyl-1,3-benzoxazol-3-ium;4-tert-butyl-1-methyl-2-(4-methyl-2-pyridinyl)pyridin-1-ium;2-tert-butyl-1-methylpyridin-1-ium;bis(4-tert-butyl-1-methylpyridin-1-ium);2-tert-butyl-1-methylquinolin-1-ium;4-tert-butyl-1-methylquinolin-1-ium;4-tert-butyl-1-phenylpyridin-1-ium;4-tert-butyl-1-propan-2-ylpyridin-1-ium;2-tert-butyl-1,3,3-trimethylindol-1-ium
CID 161694888
6-(1,3-benzothiazol-2-ylmethoxy)-N-cyclopropyl-N-methyl-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinoline-4-carboxamide
CID 164830095

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone (CID 167567659) is [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone is C#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.C#CC1(c2ccccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.C#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.CC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)CC1.CC1(C)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n2)C1.CC1(F)CC12CCN(C(=O)c1cc(C(=O)N3CCCCC3)c3cc(OCc4nc5ccccc5s4)ccc3n1)CC2.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3nc4ccccc4s3)ccc2n1)N1CCC(C2=NCC=C2)CC1.
What is the InChIKey of [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is FMLSSGMJIPQKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N4O4S.C37H34N4O3S.C36H33N5O3S.C34H32N6O3S.C33H33N5O3S.C32H33FN4O3S.C30H32N4O3S/c1-25(42)37(26-10-4-2-5-11-26)16-20-41(21-17-37)36(44)32-23-29(35(43)40-18-8-3-9-19-40)28-22-27(14-15-30(28)38-32)45-24-34-39-31-12-6-7-13-33(31)46-34;1-2-37(26-11-5-3-6-12-26)17-21-41(22-18-37)36(43)32-24-29(35(42)40-19-9-4-10-20-40)28-23-27(15-16-30(28)38-32)44-25-34-39-31-13-7-8-14-33(31)45-34;1-2-36(32-12-6-7-17-37-32)15-20-41(21-16-36)35(43)30-23-27(34(42)40-18-8-3-9-19-40)26-22-25(13-14-28(26)38-30)44-24-33-39-29-10-4-5-11-31(29)45-33;1-2-34(40-18-8-15-35-40)13-19-39(20-14-34)33(42)29-22-26(32(41)38-16-6-3-7-17-38)25-21-24(11-12-27(25)36-29)43-23-31-37-28-9-4-5-10-30(28)44-31;39-32(37-15-4-1-5-16-37)25-20-29(33(40)38-17-12-22(13-18-38)26-8-6-14-34-26)35-27-11-10-23(19-24(25)27)41-21-31-36-28-7-2-3-9-30(28)42-31;1-31(33)20-32(31)11-15-37(16-12-32)30(39)26-18-23(29(38)36-13-5-2-6-14-36)22-17-21(9-10-24(22)34-26)40-19-28-35-25-7-3-4-8-27(25)41-28;1-30(2)12-15-34(19-30)29(36)25-17-22(28(35)33-13-6-3-7-14-33)21-16-20(10-11-23(21)31-25)37-18-27-32-24-8-4-5-9-26(24)38-27/h2,4-7,10-15,22-23H,3,8-9,16-21,24H2,1H3;1,3,5-8,11-16,23-24H,4,9-10,17-22,25H2;1,4-7,10-14,17,22-23H,3,8-9,15-16,18-21,24H2;1,4-5,8-12,15,18,21-22H,3,6-7,13-14,16-17,19-20,23H2;2-3,6-11,19-20,22H,1,4-5,12-18,21H2;3-4,7-10,17-18H,2,5-6,11-16,19-20H2,1H3;4-5,8-11,16-17H,3,6-7,12-15,18-19H2,1-2H3.
What are the key properties of [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone?
[6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 4149.16 g/mol, XLogP of 43.67, 41 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzothiazol-2-ylmethoxy)-2-(3,3-dimethylpyrrolidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-ethynyl-4-pyridin-2-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(2-fluoro-2-methyl-6-azaspiro[2.5]octane-6-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;1-[1-[6-(1,3-benzothiazol-2-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2H-pyrrol-5-yl)piperidine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 167567659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).