(3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate
C173H162Cl4N18O27S6 — CID 159499395
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate
SMILESCOc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1OC.Cc1ccc(OC(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.Cc1cccc(C)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1cccc(Cl)c1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC1
InChIInChI=1S/C30H31N3O5S.C30H31N3O3S.C29H27N3O5S.C28H25Cl2N3O4S.2C28H24ClN3O5S/c1-37-26-13-10-23(19-27(26)38-2)20-32-15-17-33(18-16-32)30(34)25-11-8-22(9-12-25)21-39(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-22-6-3-7-23(2)27(22)20-32-16-18-33(19-17-32)30(34)26-13-11-24(12-14-26)21-37(35,36)28-10-4-8-25-9-5-15-31-29(25)28;1-21-7-13-25(14-8-21)37-29(34)32-18-16-31(17-19-32)28(33)24-11-9-22(10-12-24)20-38(35,36)26-6-2-4-23-5-3-15-30-27(23)26;29-23-15-20(16-24(30)27(23)34)17-32-11-13-33(14-12-32)28(35)22-8-6-19(7-9-22)18-38(36,37)25-5-1-3-21-4-2-10-31-26(21)25;29-23-6-2-7-24(18-23)37-28(34)32-16-14-31(15-17-32)27(33)22-11-9-20(10-12-22)19-38(35,36)25-8-1-4-21-5-3-13-30-26(21)25;29-23-10-12-24(13-11-23)37-28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-38(35,36)25-5-1-3-21-4-2-14-30-26(21)25/h3-14,19H,15-18,20-21H2,1-2H3;3-15H,16-21H2,1-2H3;2-15H,16-20H2,1H3;1-10,15-16,34H,11-14,17-18H2;1-13,18H,14-17,19H2;1-14H,15-19H2
InChIKeyLZEPMWVIVAYXAR-UHFFFAOYSA-N
MW3259.51 g/mol
LogP28.26
Rot. Bonds35
About (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate
(3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate (PubChem CID 159499395) has the molecular formula C173H162Cl4N18O27S6 and a molecular weight of 3259.51 g/mol. Its IUPAC name is (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate.
Molecular Properties
| Compound Name | (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate |
|---|---|
| PubChem CID | 159499395 |
| Molecular Formula | C173H162Cl4N18O27S6 |
| Molecular Weight | 3259.51 g/mol |
| Exact Mass | 3254.89 |
| IUPAC Name | (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate |
| SMILES | COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1OC.Cc1ccc(OC(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.Cc1cccc(C)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1cccc(Cl)c1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC1 |
| InChI | InChI=1S/C30H31N3O5S.C30H31N3O3S.C29H27N3O5S.C28H25Cl2N3O4S.2C28H24ClN3O5S/c1-37-26-13-10-23(19-27(26)38-2)20-32-15-17-33(18-16-32)30(34)25-11-8-22(9-12-25)21-39(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-22-6-3-7-23(2)27(22)20-32-16-18-33(19-17-32)30(34)26-13-11-24(12-14-26)21-37(35,36)28-10-4-8-25-9-5-15-31-29(25)28;1-21-7-13-25(14-8-21)37-29(34)32-18-16-31(17-19-32)28(33)24-11-9-22(10-12-24)20-38(35,36)26-6-2-4-23-5-3-15-30-27(23)26;29-23-15-20(16-24(30)27(23)34)17-32-11-13-33(14-12-32)28(35)22-8-6-19(7-9-22)18-38(36,37)25-5-1-3-21-4-2-10-31-26(21)25;29-23-6-2-7-24(18-23)37-28(34)32-16-14-31(15-17-32)27(33)22-11-9-20(10-12-22)19-38(35,36)25-8-1-4-21-5-3-13-30-26(21)25;29-23-10-12-24(13-11-23)37-28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-38(35,36)25-5-1-3-21-4-2-14-30-26(21)25/h3-14,19H,15-18,20-21H2,1-2H3;3-15H,16-21H2,1-2H3;2-15H,16-20H2,1H3;1-10,15-16,34H,11-14,17-18H2;1-13,18H,14-17,19H2;1-14H,15-19H2 |
| InChIKey | LZEPMWVIVAYXAR-UHFFFAOYSA-N |
| XLogP | 28.26 |
| TPSA | 541.07 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 228 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3259.51 |
| LogP ≤ 5 | 28.26 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate (CID 159499395) is (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate is COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1OC.Cc1ccc(OC(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.Cc1cccc(C)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1cccc(Cl)c1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is LZEPMWVIVAYXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5S.C30H31N3O3S.C29H27N3O5S.C28H25Cl2N3O4S.2C28H24ClN3O5S/c1-37-26-13-10-23(19-27(26)38-2)20-32-15-17-33(18-16-32)30(34)25-11-8-22(9-12-25)21-39(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-22-6-3-7-23(2)27(22)20-32-16-18-33(19-17-32)30(34)26-13-11-24(12-14-26)21-37(35,36)28-10-4-8-25-9-5-15-31-29(25)28;1-21-7-13-25(14-8-21)37-29(34)32-18-16-31(17-19-32)28(33)24-11-9-22(10-12-24)20-38(35,36)26-6-2-4-23-5-3-15-30-27(23)26;29-23-15-20(16-24(30)27(23)34)17-32-11-13-33(14-12-32)28(35)22-8-6-19(7-9-22)18-38(36,37)25-5-1-3-21-4-2-10-31-26(21)25;29-23-6-2-7-24(18-23)37-28(34)32-16-14-31(15-17-32)27(33)22-11-9-20(10-12-22)19-38(35,36)25-8-1-4-21-5-3-13-30-26(21)25;29-23-10-12-24(13-11-23)37-28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-38(35,36)25-5-1-3-21-4-2-14-30-26(21)25/h3-14,19H,15-18,20-21H2,1-2H3;3-15H,16-21H2,1-2H3;2-15H,16-20H2,1H3;1-10,15-16,34H,11-14,17-18H2;1-13,18H,14-17,19H2;1-14H,15-19H2.
What are the key properties of (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate?
(3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 3259.51 g/mol, XLogP of 28.26, 35 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-chlorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 159499395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159499395 — identifiers, structure, computed properties (public domain)
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