6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one

C123H113Cl8N19O9S2 — CID 165107657

About 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one

6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one (PubChem CID 165107657) has the molecular formula C123H113Cl8N19O9S2 and a molecular weight of 2349.14 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
• PubChem CID: 165107657
• Molecular Formula: C123H113Cl8N19O9S2
• Molecular Weight: 2349.14 g/mol
• Exact Mass: 2343.59
• IUPAC Name: 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
• SMILES: CCN(CC)CCOc1ccc(Cc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.CS(=O)(=O)c1cccc(Cc2ncc3cc(-c4c(Cl)cccc4Cl)ccc3n2)c1.Cc1cccc(-c2cc3cnc(Nc4cccc(N5CCN(C)CC5)c4)cc3n(C)c2=O)c1.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Cc3ccc(N4CCNCC4)cc3)nc21.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Cc3cccc(S(C)(=O)=O)c3)nc21
• InChI: InChI=1S/C27H28Cl2N4O2.C27H29N5O.C25H23Cl2N5O.C22H17Cl2N3O3S.C22H16Cl2N2O2S/c1-4-33(5-2)13-14-35-20-11-9-18(10-12-20)15-24-30-17-19-16-21(27(34)32(3)26(19)31-24)25-22(28)7-6-8-23(25)29;1-19-6-4-7-20(14-19)24-15-21-18-28-26(17-25(21)31(3)27(24)33)29-22-8-5-9-23(16-22)32-12-10-30(2)11-13-32;1-31-24-17(14-19(25(31)33)23-20(26)3-2-4-21(23)27)15-29-22(30-24)13-16-5-7-18(8-6-16)32-11-9-28-10-12-32;1-27-21-14(11-16(22(27)28)20-17(23)7-4-8-18(20)24)12-25-19(26-21)10-13-5-3-6-15(9-13)31(2,29)30;1-29(27,28)17-5-2-4-14(10-17)11-21-25-13-16-12-15(8-9-20(16)26-21)22-18(23)6-3-7-19(22)24/h6-12,16-17H,4-5,13-15H2,1-3H3;4-9,14-18H,10-13H2,1-3H3,(H,28,29);2-8,14-15,28H,9-13H2,1H3;3-9,11-12H,10H2,1-2H3;2-10,12-13H,11H2,1H3
• InChIKey: ZKLWSXBUHPXANZ-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 318.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2349.14
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one?

The IUPAC name of 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one (CID 165107657) is 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one.

What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one?

The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Cc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1.CS(=O)(=O)c1cccc(Cc2ncc3cc(-c4c(Cl)cccc4Cl)ccc3n2)c1.Cc1cccc(-c2cc3cnc(Nc4cccc(N5CCN(C)CC5)c4)cc3n(C)c2=O)c1.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Cc3ccc(N4CCNCC4)cc3)nc21.Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Cc3cccc(S(C)(=O)=O)c3)nc21.

What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one?

The InChIKey is ZKLWSXBUHPXANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O2.C27H29N5O.C25H23Cl2N5O.C22H17Cl2N3O3S.C22H16Cl2N2O2S/c1-4-33(5-2)13-14-35-20-11-9-18(10-12-20)15-24-30-17-19-16-21(27(34)32(3)26(19)31-24)25-22(28)7-6-8-23(25)29;1-19-6-4-7-20(14-19)24-15-21-18-28-26(17-25(21)31(3)27(24)33)29-22-8-5-9-23(16-22)32-12-10-30(2)11-13-32;1-31-24-17(14-19(25(31)33)23-20(26)3-2-4-21(23)27)15-29-22(30-24)13-16-5-7-18(8-6-16)32-11-9-28-10-12-32;1-27-21-14(11-16(22(27)28)20-17(23)7-4-8-18(20)24)12-25-19(26-21)10-13-5-3-6-15(9-13)31(2,29)30;1-29(27,28)17-5-2-4-14(10-17)11-21-25-13-16-12-15(8-9-20(16)26-21)22-18(23)6-3-7-19(22)24/h6-12,16-17H,4-5,13-15H2,1-3H3;4-9,14-18H,10-13H2,1-3H3,(H,28,29);2-8,14-15,28H,9-13H2,1H3;3-9,11-12H,10H2,1-2H3;2-10,12-13H,11H2,1H3.

What are the key properties of 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one?

6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one has a molecular weight of 2349.14 g/mol, XLogP of 24.22, 25 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-8-methyl-2-[(4-piperazin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichlorophenyl)-2-[(3-methylsulfonylphenyl)methyl]quinazoline;1-methyl-3-(3-methylphenyl)-7-[3-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 165107657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).