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

C141H129N25O17S3 — CID 167695620

IUPAC1-[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
SMILESN#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(O)ccc3n2)CC1.N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5snnc5c4)ccc3n2)CC1.N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)O)c3cc(O)ccc3n2)CC1.N#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5snnc5c4)ccc3n2)CC1.O=C(O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4snnc4c3)ccc2n1
InChIInChI=1S/C35H32N6O3S.C32H30N8O3S.C28H28N4O3.C23H20N4O4S.C23H19N3O4/c36-23-35(25-7-3-1-4-8-25)13-17-41(18-14-35)34(43)31-21-28(33(42)40-15-5-2-6-16-40)27-20-26(10-11-29(27)37-31)44-22-24-9-12-32-30(19-24)38-39-45-32;33-21-32(40-14-4-11-34-40)9-15-39(16-10-32)31(42)28-19-25(30(41)38-12-2-1-3-13-38)24-18-23(6-7-26(24)35-28)43-20-22-5-8-29-27(17-22)36-37-44-29;29-19-28(20-7-3-1-4-8-20)11-15-32(16-12-28)27(35)25-18-23(26(34)31-13-5-2-6-14-31)22-17-21(33)9-10-24(22)30-25;28-22(27-8-2-1-3-9-27)17-12-20(23(29)30)24-18-6-5-15(11-16(17)18)31-13-14-4-7-21-19(10-14)25-26-32-21;24-14-23(15-4-2-1-3-5-15)8-10-26(11-9-23)21(28)20-13-18(22(29)30)17-12-16(27)6-7-19(17)25-20/h1,3-4,7-12,19-21H,2,5-6,13-18,22H2;4-8,11,14,17-19H,1-3,9-10,12-13,15-16,20H2;1,3-4,7-10,17-18,33H,2,5-6,11-16H2;4-7,10-12H,1-3,8-9,13H2,(H,29,30);1-7,12-13,27H,8-11H2,(H,29,30)
InChIKeyXPNXRXBLJNUNIB-UHFFFAOYSA-N
MW2541.94 g/mol
LogP22.68
Rot. Bonds23

About 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

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 (PubChem CID 167695620) has the molecular formula C141H129N25O17S3 and a molecular weight of 2541.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID167695620
Molecular FormulaC141H129N25O17S3
Molecular Weight2541.94 g/mol
Exact Mass2539.92
IUPAC Name1-[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
SMILESN#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(O)ccc3n2)CC1.N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5snnc5c4)ccc3n2)CC1.N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)O)c3cc(O)ccc3n2)CC1.N#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5snnc5c4)ccc3n2)CC1.O=C(O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4snnc4c3)ccc2n1
InChIInChI=1S/C35H32N6O3S.C32H30N8O3S.C28H28N4O3.C23H20N4O4S.C23H19N3O4/c36-23-35(25-7-3-1-4-8-25)13-17-41(18-14-35)34(43)31-21-28(33(42)40-15-5-2-6-16-40)27-20-26(10-11-29(27)37-31)44-22-24-9-12-32-30(19-24)38-39-45-32;33-21-32(40-14-4-11-34-40)9-15-39(16-10-32)31(42)28-19-25(30(41)38-12-2-1-3-13-38)24-18-23(6-7-26(24)35-28)43-20-22-5-8-29-27(17-22)36-37-44-29;29-19-28(20-7-3-1-4-8-20)11-15-32(16-12-28)27(35)25-18-23(26(34)31-13-5-2-6-14-31)22-17-21(33)9-10-24(22)30-25;28-22(27-8-2-1-3-9-27)17-12-20(23(29)30)24-18-6-5-15(11-16(17)18)31-13-14-4-7-21-19(10-14)25-26-32-21;24-14-23(15-4-2-1-3-5-15)8-10-26(11-9-23)21(28)20-13-18(22(29)30)17-12-16(27)6-7-19(17)25-20/h1,3-4,7-12,19-21H,2,5-6,13-18,22H2;4-8,11,14,17-19H,1-3,9-10,12-13,15-16,20H2;1,3-4,7-10,17-18,33H,2,5-6,11-16H2;4-7,10-12H,1-3,8-9,13H2,(H,29,30);1-7,12-13,27H,8-11H2,(H,29,30)
InChIKeyXPNXRXBLJNUNIB-UHFFFAOYSA-N
XLogP22.68
TPSA560.00 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002541.94
LogP ≤ 522.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze 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 with MolForge

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Related Compounds

[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
1-[6-(1,2,3-Benzothiadiazol-5-ylmethoxy)-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
CID 155343625
[6-(1,2,3-Benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 155343634
[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
6-(1,3-Benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinoline-4-carboxylic acid;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-(4-fluoropiperidin-1-yl)methanone
CID 167588786
4-amino-2-fluorophenol;6-(1,3-benzothiazol-2-ylmethoxy)-2-ethoxycarbonyl-7-fluoroquinoline-4-carboxylic acid;6-(1,3-benzothiazol-2-ylmethoxy)-7-fluoro-4-(piperidine-1-carbonyl)quinoline-2-carboxylic acid;[6-(1,3-benzothiazol-2-ylmethoxy)-7-fluoro-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;ethyl 6-(1,3-benzothiazol-2-ylmethoxy)-7-fluoro-4-(piperidine-1-carbonyl)quinoline-2-carboxylate;2-O-ethyl 4-O-methyl 7-fluoro-6-hydroxyquinoline-2,4-dicarboxylate;ethyl 2-oxoacetate;methyl 2-oxopropanoate
CID 167610994
1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;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 167614087
[6-(1,2,3-Benzothiadiazol-5-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-hydroxy-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 167664384

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(O)ccc3n2)CC1.N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5snnc5c4)ccc3n2)CC1.N#CC1(c2ccccc2)CCN(C(=O)c2cc(C(=O)O)c3cc(O)ccc3n2)CC1.N#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(OCc4ccc5snnc5c4)ccc3n2)CC1.O=C(O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc4snnc4c3)ccc2n1.
What is the InChIKey of 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?
The InChIKey is XPNXRXBLJNUNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N6O3S.C32H30N8O3S.C28H28N4O3.C23H20N4O4S.C23H19N3O4/c36-23-35(25-7-3-1-4-8-25)13-17-41(18-14-35)34(43)31-21-28(33(42)40-15-5-2-6-16-40)27-20-26(10-11-29(27)37-31)44-22-24-9-12-32-30(19-24)38-39-45-32;33-21-32(40-14-4-11-34-40)9-15-39(16-10-32)31(42)28-19-25(30(41)38-12-2-1-3-13-38)24-18-23(6-7-26(24)35-28)43-20-22-5-8-29-27(17-22)36-37-44-29;29-19-28(20-7-3-1-4-8-20)11-15-32(16-12-28)27(35)25-18-23(26(34)31-13-5-2-6-14-31)22-17-21(33)9-10-24(22)30-25;28-22(27-8-2-1-3-9-27)17-12-20(23(29)30)24-18-6-5-15(11-16(17)18)31-13-14-4-7-21-19(10-14)25-26-32-21;24-14-23(15-4-2-1-3-5-15)8-10-26(11-9-23)21(28)20-13-18(22(29)30)17-12-16(27)6-7-19(17)25-20/h1,3-4,7-12,19-21H,2,5-6,13-18,22H2;4-8,11,14,17-19H,1-3,9-10,12-13,15-16,20H2;1,3-4,7-10,17-18,33H,2,5-6,11-16H2;4-7,10-12H,1-3,8-9,13H2,(H,29,30);1-7,12-13,27H,8-11H2,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 2541.94 g/mol, XLogP of 22.68, 23 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167695620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).