(4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone

C121H123N15O5S — CID 160960132

About (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone

(4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone (PubChem CID 160960132) has the molecular formula C121H123N15O5S and a molecular weight of 1899.48 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
• PubChem CID: 160960132
• Molecular Formula: C121H123N15O5S
• Molecular Weight: 1899.48 g/mol
• Exact Mass: 1897.96
• IUPAC Name: (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
• SMILES: CC(c1ccccc1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1.Cc1ccc2[nH]c(C(=O)N3CCN(C(C)c4ccccc4)CC3)cc2c1.O=C(c1ccc2ccccc2n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.O=C(c1ccc2ccccc2n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1.S=C(c1cnc2ccccc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
• InChI: InChI=1S/C27H25N3O.C27H25N3S.C23H23N3O2.2C22H25N3O/c31-27(25-16-15-21-9-7-8-14-24(21)28-25)30-19-17-29(18-20-30)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23;31-27(24-19-23-13-7-8-14-25(23)28-20-24)30-17-15-29(16-18-30)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22;27-23(21-7-6-18-3-1-2-4-20(18)24-21)26-12-10-25(11-13-26)16-17-5-8-22-19(15-17)9-14-28-22;1-17(18-8-4-3-5-9-18)24-12-14-25(15-13-24)22(26)20-16-23(2)21-11-7-6-10-19(20)21;1-16-8-9-20-19(14-16)15-21(23-20)22(26)25-12-10-24(11-13-25)17(2)18-6-4-3-5-7-18/h1-16,26H,17-20H2;1-14,19-20,26H,15-18H2;1-8,15H,9-14,16H2;3-11,16-17H,12-15H2,1-2H3;3-9,14-15,17,23H,10-13H2,1-2H3
• InChIKey: SWXDNSMIBRMTMS-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 169.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.48
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?

The IUPAC name of (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone (CID 160960132) is (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone.

What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?

The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone is CC(c1ccccc1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1.Cc1ccc2[nH]c(C(=O)N3CCN(C(C)c4ccccc4)CC3)cc2c1.O=C(c1ccc2ccccc2n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.O=C(c1ccc2ccccc2n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1.S=C(c1cnc2ccccc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.

What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?

The InChIKey is SWXDNSMIBRMTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O.C27H25N3S.C23H23N3O2.2C22H25N3O/c31-27(25-16-15-21-9-7-8-14-24(21)28-25)30-19-17-29(18-20-30)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23;31-27(24-19-23-13-7-8-14-25(23)28-20-24)30-17-15-29(16-18-30)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22;27-23(21-7-6-18-3-1-2-4-20(18)24-21)26-12-10-25(11-13-26)16-17-5-8-22-19(15-17)9-14-28-22;1-17(18-8-4-3-5-9-18)24-12-14-25(15-13-24)22(26)20-16-23(2)21-11-7-6-10-19(20)21;1-16-8-9-20-19(14-16)15-21(23-20)22(26)25-12-10-24(11-13-25)17(2)18-6-4-3-5-7-18/h1-16,26H,17-20H2;1-14,19-20,26H,15-18H2;1-8,15H,9-14,16H2;3-11,16-17H,12-15H2,1-2H3;3-9,14-15,17,23H,10-13H2,1-2H3.

What are the key properties of (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone?

(4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 1899.48 g/mol, XLogP of 20.92, 17 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4-benzhydrylpiperazin-1-yl)-quinolin-3-ylmethanethione;(4-benzhydrylpiperazin-1-yl)-quinolin-2-ylmethanone;[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone;(1-methylindol-3-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone;(5-methyl-1H-indol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 160960132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).