2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide

C94H98ClN9O17S3 — CID 161287869

About 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide

2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide (PubChem CID 161287869) has the molecular formula C94H98ClN9O17S3 and a molecular weight of 1757.52 g/mol. Its IUPAC name is 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
• PubChem CID: 161287869
• Molecular Formula: C94H98ClN9O17S3
• Molecular Weight: 1757.52 g/mol
• Exact Mass: 1755.59
• IUPAC Name: 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
• SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c3c(n2)CCC(C)(c2ccc[nH]c2=O)C3=O)cc1.CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c3c(n2)CCC(C)(c2cccnc2OCc2ccc(OC)cc2)C3=O)cc1.CCS(=O)(=O)c1ccc(CC(N)=O)cc1.COc1ccc(COc2ncccc2C2(C)CCc3nc(Cl)cc(C)c3C2=O)cc1
• InChI: InChI=1S/C34H35N3O6S.C26H27N3O5S.C24H23ClN2O3.C10H13NO3S/c1-5-44(40,41)26-14-10-23(11-15-26)20-30(38)37-29-19-22(2)31-28(36-29)16-17-34(3,32(31)39)27-7-6-18-35-33(27)43-21-24-8-12-25(42-4)13-9-24;1-4-35(33,34)18-9-7-17(8-10-18)15-22(30)29-21-14-16(2)23-20(28-21)11-12-26(3,24(23)31)19-6-5-13-27-25(19)32;1-15-13-20(25)27-19-10-11-24(2,22(28)21(15)19)18-5-4-12-26-23(18)30-14-16-6-8-17(29-3)9-7-16;1-2-15(13,14)9-5-3-8(4-6-9)7-10(11)12/h6-15,18-19H,5,16-17,20-21H2,1-4H3,(H,36,37,38);5-10,13-14H,4,11-12,15H2,1-3H3,(H,27,32)(H,28,29,30);4-9,12-13H,10-11,14H2,1-3H3;3-6H,2,7H2,1H3,(H2,11,12)
• InChIKey: VFYOTFUPKMUGLM-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 389.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1757.52
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide?

The IUPAC name of 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide (CID 161287869) is 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide.

What is the SMILES notation for 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide?

The canonical SMILES for 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c3c(n2)CCC(C)(c2ccc[nH]c2=O)C3=O)cc1.CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c3c(n2)CCC(C)(c2cccnc2OCc2ccc(OC)cc2)C3=O)cc1.CCS(=O)(=O)c1ccc(CC(N)=O)cc1.COc1ccc(COc2ncccc2C2(C)CCc3nc(Cl)cc(C)c3C2=O)cc1.

What is the InChIKey of 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide?

The InChIKey is VFYOTFUPKMUGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O6S.C26H27N3O5S.C24H23ClN2O3.C10H13NO3S/c1-5-44(40,41)26-14-10-23(11-15-26)20-30(38)37-29-19-22(2)31-28(36-29)16-17-34(3,32(31)39)27-7-6-18-35-33(27)43-21-24-8-12-25(42-4)13-9-24;1-4-35(33,34)18-9-7-17(8-10-18)15-22(30)29-21-14-16(2)23-20(28-21)11-12-26(3,24(23)31)19-6-5-13-27-25(19)32;1-15-13-20(25)27-19-10-11-24(2,22(28)21(15)19)18-5-4-12-26-23(18)30-14-16-6-8-17(29-3)9-7-16;1-2-15(13,14)9-5-3-8(4-6-9)7-10(11)12/h6-15,18-19H,5,16-17,20-21H2,1-4H3,(H,36,37,38);5-10,13-14H,4,11-12,15H2,1-3H3,(H,27,32)(H,28,29,30);4-9,12-13H,10-11,14H2,1-3H3;3-6H,2,7H2,1H3,(H2,11,12).

What are the key properties of 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide?

2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide has a molecular weight of 1757.52 g/mol, XLogP of 14.19, 25 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-7,8-dihydroquinolin-5-one;N-[4,6-dimethyl-5-oxo-6-(2-oxo-1H-pyridin-3-yl)-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)acetamide;2-(4-ethylsulfonylphenyl)-N-[6-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide is sourced from PubChem (CID 161287869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).