[6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile

C229H226Cl2F3N35O29S2 — CID 167709113

IUPAC[6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
SMILESC#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N(C)C)c3cc(OCc4ccc5c(c4C)COC5=O)ccc3n2)CC1.C#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ncc(C(F)(F)F)cc4Cl)ccc3n2)CC1.CC1(C)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5c(c4Cl)COC5=O)ccc3n2)C1.Cc1c(COc2ccc3nc(C(=O)N4CCC(C#N)(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.Cc1c(COc2ccc3nc(C(=O)N4CCC(C)(C)C4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4nnsc4c3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4snnc4c3)ccc2n1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C36H33N3O5.C35H34N6O5.C33H30ClF3N6O3.C32H35N3O5.C31H32ClN3O5.2C31H31N7O3S/c1-5-36(25-9-7-6-8-10-25)15-17-39(18-16-36)34(41)32-20-29(33(40)38(3)4)28-19-26(12-14-31(28)37-32)43-21-24-11-13-27-30(23(24)2)22-44-35(27)42;1-23-24(6-8-26-29(23)21-46-34(26)44)20-45-25-7-9-30-27(18-25)28(32(42)39-13-3-2-4-14-39)19-31(38-30)33(43)40-16-10-35(22-36,11-17-40)41-15-5-12-37-41;1-2-32(43-14-6-11-39-43)9-15-42(16-10-32)31(45)28-19-25(30(44)41-12-4-3-5-13-41)24-18-23(7-8-27(24)40-28)46-21-29-26(34)17-22(20-38-29)33(35,36)37;1-20-21(7-9-23-26(20)18-40-31(23)38)17-39-22-8-10-27-24(15-22)25(29(36)34-12-5-4-6-13-34)16-28(33-27)30(37)35-14-11-32(2,3)19-35;1-31(2)10-13-35(18-31)29(37)26-15-23(28(36)34-11-4-3-5-12-34)22-14-20(7-9-25(22)33-26)39-16-19-6-8-21-24(27(19)32)17-40-30(21)38;39-30(36-12-2-1-3-13-36)25-19-28(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-7-6-23(18-24(25)26)41-20-21-5-8-29-27(17-21)34-35-42-29;39-30(36-12-2-1-3-13-36)25-19-28(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-8-6-23(18-24(25)26)41-20-21-5-7-27-29(17-21)42-35-34-27/h1,6-14,19-20H,15-18,21-22H2,2-4H3;5-9,12,15,18-19H,2-4,10-11,13-14,16-17,20-21H2,1H3;1,6-8,11,14,17-20H,3-5,9-10,12-13,15-16,21H2;7-10,15-16H,4-6,11-14,17-19H2,1-3H3;6-9,14-15H,3-5,10-13,16-18H2,1-2H3;2*4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2
InChIKeyZNZUDEIQGXADAT-UHFFFAOYSA-N
MW4124.58 g/mol
LogP37.20
Rot. Bonds40

About [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile

[6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile (PubChem CID 167709113) has the molecular formula C229H226Cl2F3N35O29S2 and a molecular weight of 4124.58 g/mol. Its IUPAC name is [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name[6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
PubChem CID167709113
Molecular FormulaC229H226Cl2F3N35O29S2
Molecular Weight4124.58 g/mol
Exact Mass4120.61
IUPAC Name[6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
SMILESC#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N(C)C)c3cc(OCc4ccc5c(c4C)COC5=O)ccc3n2)CC1.C#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ncc(C(F)(F)F)cc4Cl)ccc3n2)CC1.CC1(C)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5c(c4Cl)COC5=O)ccc3n2)C1.Cc1c(COc2ccc3nc(C(=O)N4CCC(C#N)(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.Cc1c(COc2ccc3nc(C(=O)N4CCC(C)(C)C4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4nnsc4c3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4snnc4c3)ccc2n1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C36H33N3O5.C35H34N6O5.C33H30ClF3N6O3.C32H35N3O5.C31H32ClN3O5.2C31H31N7O3S/c1-5-36(25-9-7-6-8-10-25)15-17-39(18-16-36)34(41)32-20-29(33(40)38(3)4)28-19-26(12-14-31(28)37-32)43-21-24-11-13-27-30(23(24)2)22-44-35(27)42;1-23-24(6-8-26-29(23)21-46-34(26)44)20-45-25-7-9-30-27(18-25)28(32(42)39-13-3-2-4-14-39)19-31(38-30)33(43)40-16-10-35(22-36,11-17-40)41-15-5-12-37-41;1-2-32(43-14-6-11-39-43)9-15-42(16-10-32)31(45)28-19-25(30(44)41-12-4-3-5-13-41)24-18-23(7-8-27(24)40-28)46-21-29-26(34)17-22(20-38-29)33(35,36)37;1-20-21(7-9-23-26(20)18-40-31(23)38)17-39-22-8-10-27-24(15-22)25(29(36)34-12-5-4-6-13-34)16-28(33-27)30(37)35-14-11-32(2,3)19-35;1-31(2)10-13-35(18-31)29(37)26-15-23(28(36)34-11-4-3-5-12-34)22-14-20(7-9-25(22)33-26)39-16-19-6-8-21-24(27(19)32)17-40-30(21)38;39-30(36-12-2-1-3-13-36)25-19-28(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-7-6-23(18-24(25)26)41-20-21-5-8-29-27(17-21)34-35-42-29;39-30(36-12-2-1-3-13-36)25-19-28(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-8-6-23(18-24(25)26)41-20-21-5-7-27-29(17-21)42-35-34-27/h1,6-14,19-20H,15-18,21-22H2,2-4H3;5-9,12,15,18-19H,2-4,10-11,13-14,16-17,20-21H2,1H3;1,6-8,11,14,17-20H,3-5,9-10,12-13,15-16,21H2;7-10,15-16H,4-6,11-14,17-19H2,1-3H3;6-9,14-15H,3-5,10-13,16-18H2,1-2H3;2*4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2
InChIKeyZNZUDEIQGXADAT-UHFFFAOYSA-N
XLogP37.20
TPSA703.90 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds40
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004124.58
LogP ≤ 537.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(1,2,3-Benzothiadiazol-5-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile;1-[6-(1,2,3-benzothiadiazol-5-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;6-(1,2,3-benzothiadiazol-5-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carboxylic acid;2-(4-cyano-4-phenylpiperidine-1-carbonyl)-6-hydroxyquinoline-4-carboxylic acid;1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 167695620
[6-[(4-chlorophenyl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;3-fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile;[6-[(1-methylbenzotriazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;6-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one
CID 167700170

Frequently Asked Questions

What is the IUPAC name of [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile?
The IUPAC name of [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile (CID 167709113) is [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile.
What is the SMILES notation for [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile?
The canonical SMILES for [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile is C#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N(C)C)c3cc(OCc4ccc5c(c4C)COC5=O)ccc3n2)CC1.C#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ncc(C(F)(F)F)cc4Cl)ccc3n2)CC1.CC1(C)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5c(c4Cl)COC5=O)ccc3n2)C1.Cc1c(COc2ccc3nc(C(=O)N4CCC(C#N)(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.Cc1c(COc2ccc3nc(C(=O)N4CCC(C)(C)C4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4nnsc4c3)ccc2n1)N1CCC(n2cccn2)CC1.O=C(c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4snnc4c3)ccc2n1)N1CCC(n2cccn2)CC1.
What is the InChIKey of [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile?
The InChIKey is ZNZUDEIQGXADAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O5.C35H34N6O5.C33H30ClF3N6O3.C32H35N3O5.C31H32ClN3O5.2C31H31N7O3S/c1-5-36(25-9-7-6-8-10-25)15-17-39(18-16-36)34(41)32-20-29(33(40)38(3)4)28-19-26(12-14-31(28)37-32)43-21-24-11-13-27-30(23(24)2)22-44-35(27)42;1-23-24(6-8-26-29(23)21-46-34(26)44)20-45-25-7-9-30-27(18-25)28(32(42)39-13-3-2-4-14-39)19-31(38-30)33(43)40-16-10-35(22-36,11-17-40)41-15-5-12-37-41;1-2-32(43-14-6-11-39-43)9-15-42(16-10-32)31(45)28-19-25(30(44)41-12-4-3-5-13-41)24-18-23(7-8-27(24)40-28)46-21-29-26(34)17-22(20-38-29)33(35,36)37;1-20-21(7-9-23-26(20)18-40-31(23)38)17-39-22-8-10-27-24(15-22)25(29(36)34-12-5-4-6-13-34)16-28(33-27)30(37)35-14-11-32(2,3)19-35;1-31(2)10-13-35(18-31)29(37)26-15-23(28(36)34-11-4-3-5-12-34)22-14-20(7-9-25(22)33-26)39-16-19-6-8-21-24(27(19)32)17-40-30(21)38;39-30(36-12-2-1-3-13-36)25-19-28(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-7-6-23(18-24(25)26)41-20-21-5-8-29-27(17-21)34-35-42-29;39-30(36-12-2-1-3-13-36)25-19-28(31(40)37-15-9-22(10-16-37)38-14-4-11-32-38)33-26-8-6-23(18-24(25)26)41-20-21-5-7-27-29(17-21)42-35-34-27/h1,6-14,19-20H,15-18,21-22H2,2-4H3;5-9,12,15,18-19H,2-4,10-11,13-14,16-17,20-21H2,1H3;1,6-8,11,14,17-20H,3-5,9-10,12-13,15-16,21H2;7-10,15-16H,4-6,11-14,17-19H2,1-3H3;6-9,14-15H,3-5,10-13,16-18H2,1-2H3;2*4-8,11,14,17-19,22H,1-3,9-10,12-13,15-16,20H2.
What are the key properties of [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile?
[6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile has a molecular weight of 4124.58 g/mol, XLogP of 37.20, 40 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2,3-benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,2,3-benzothiadiazol-6-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;4-chloro-5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one;[6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2-(4-ethynyl-4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;5-[[2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-(piperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-4-methyl-3H-2-benzofuran-1-one;2-(4-ethynyl-4-phenylpiperidine-1-carbonyl)-N,N-dimethyl-6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]quinoline-4-carboxamide;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 167709113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).