3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone

C115H134N10O15S5 — CID 158517866

IUPAC3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3C(C)CCCC3C)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CC(C)CC(C)C3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(c4ccccc4)CC3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCC(C)C3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCc4ccccc43)n2)c(C)c1
InChIInChI=1S/C26H28N2O3S.C24H24N2O3S.2C22H28N2O3S.C21H26N2O3S/c1-19-11-12-25(20(2)17-19)32(30,31)18-23-9-6-10-24(27-23)26(29)28-15-13-22(14-16-28)21-7-4-3-5-8-21;1-17-12-13-23(18(2)15-17)30(28,29)16-20-9-5-10-21(25-20)24(27)26-14-6-8-19-7-3-4-11-22(19)26;1-15-11-12-21(16(2)13-15)28(26,27)14-19-9-6-10-20(23-19)22(25)24-17(3)7-5-8-18(24)4;1-15-8-9-21(18(4)11-15)28(26,27)14-19-6-5-7-20(23-19)22(25)24-12-16(2)10-17(3)13-24;1-15-9-10-20(17(3)12-15)27(25,26)14-18-7-4-8-19(22-18)21(24)23-11-5-6-16(2)13-23/h3-12,17,22H,13-16,18H2,1-2H3;3-5,7,9-13,15H,6,8,14,16H2,1-2H3;6,9-13,17-18H,5,7-8,14H2,1-4H3;5-9,11,16-17H,10,12-14H2,1-4H3;4,7-10,12,16H,5-6,11,13-14H2,1-3H3
InChIKeyHLVRYNFFGPNTTJ-UHFFFAOYSA-N
MW2056.73 g/mol
LogP20.37
Rot. Bonds21

About 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 158517866) has the molecular formula C115H134N10O15S5 and a molecular weight of 2056.73 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID158517866
Molecular FormulaC115H134N10O15S5
Molecular Weight2056.73 g/mol
Exact Mass2054.86
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3C(C)CCCC3C)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CC(C)CC(C)C3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(c4ccccc4)CC3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCC(C)C3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCc4ccccc43)n2)c(C)c1
InChIInChI=1S/C26H28N2O3S.C24H24N2O3S.2C22H28N2O3S.C21H26N2O3S/c1-19-11-12-25(20(2)17-19)32(30,31)18-23-9-6-10-24(27-23)26(29)28-15-13-22(14-16-28)21-7-4-3-5-8-21;1-17-12-13-23(18(2)15-17)30(28,29)16-20-9-5-10-21(25-20)24(27)26-14-6-8-19-7-3-4-11-22(19)26;1-15-11-12-21(16(2)13-15)28(26,27)14-19-9-6-10-20(23-19)22(25)24-17(3)7-5-8-18(24)4;1-15-8-9-21(18(4)11-15)28(26,27)14-19-6-5-7-20(23-19)22(25)24-12-16(2)10-17(3)13-24;1-15-9-10-20(17(3)12-15)27(25,26)14-18-7-4-8-19(22-18)21(24)23-11-5-6-16(2)13-23/h3-12,17,22H,13-16,18H2,1-2H3;3-5,7,9-13,15H,6,8,14,16H2,1-2H3;6,9-13,17-18H,5,7-8,14H2,1-4H3;5-9,11,16-17H,10,12-14H2,1-4H3;4,7-10,12,16H,5-6,11,13-14H2,1-3H3
InChIKeyHLVRYNFFGPNTTJ-UHFFFAOYSA-N
XLogP20.37
TPSA336.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002056.73
LogP ≤ 520.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone (CID 158517866) is 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone is Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3C(C)CCCC3C)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CC(C)CC(C)C3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCC(c4ccccc4)CC3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCC(C)C3)n2)c(C)c1.Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)N3CCCc4ccccc43)n2)c(C)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is HLVRYNFFGPNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S.C24H24N2O3S.2C22H28N2O3S.C21H26N2O3S/c1-19-11-12-25(20(2)17-19)32(30,31)18-23-9-6-10-24(27-23)26(29)28-15-13-22(14-16-28)21-7-4-3-5-8-21;1-17-12-13-23(18(2)15-17)30(28,29)16-20-9-5-10-21(25-20)24(27)26-14-6-8-19-7-3-4-11-22(19)26;1-15-11-12-21(16(2)13-15)28(26,27)14-19-9-6-10-20(23-19)22(25)24-17(3)7-5-8-18(24)4;1-15-8-9-21(18(4)11-15)28(26,27)14-19-6-5-7-20(23-19)22(25)24-12-16(2)10-17(3)13-24;1-15-9-10-20(17(3)12-15)27(25,26)14-18-7-4-8-19(22-18)21(24)23-11-5-6-16(2)13-23/h3-12,17,22H,13-16,18H2,1-2H3;3-5,7,9-13,15H,6,8,14,16H2,1-2H3;6,9-13,17-18H,5,7-8,14H2,1-4H3;5-9,11,16-17H,10,12-14H2,1-4H3;4,7-10,12,16H,5-6,11,13-14H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 2056.73 g/mol, XLogP of 20.37, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 158517866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).