6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C124H133F3N26O8S — CID 158313700

About 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158313700) has the molecular formula C124H133F3N26O8S and a molecular weight of 2204.66 g/mol. Its IUPAC name is 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158313700
• Molecular Formula: C124H133F3N26O8S
• Molecular Weight: 2204.66 g/mol
• Exact Mass: 2203.05
• IUPAC Name: 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2C)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O
• InChI: InChI=1S/C33H36F3N7O2.C32H37N7O2.C31H33N7O2.C28H27N5O2S/c1-4-20(5-2)24-16-21-18-38-32(39-22-10-11-27(25(17-22)33(34,35)36)42-14-12-37-13-15-42)40-30(21)43(31(24)45)28-19-41(3)26-9-7-6-8-23(26)29(28)44;1-4-38(5-2)27-19-24-20-34-32(35-25-12-10-21(11-13-25)22-14-16-33-17-15-22)36-29(24)39(31(27)41)28-18-23-8-6-7-9-26(23)37(3)30(28)40;1-19(36(2)3)26-15-23-18-33-31(34-24-11-9-20(10-12-24)22-13-14-32-17-22)35-28(23)38(30(26)40)27-16-21-7-5-6-8-25(21)29(39)37(27)4;1-17-14-20-15-30-28(31-21-8-6-18(7-9-21)19-10-12-29-13-11-19)32-26(20)33(27(17)35)23-16-36-24-5-3-2-4-22(24)25(23)34/h6-11,16-18,20,28,37H,4-5,12-15,19H2,1-3H3,(H,38,39,40);6-13,19-20,22,28,33H,4-5,14-18H2,1-3H3,(H,34,35,36);5-12,15,18,22,27,32H,1,13-14,16-17H2,2-4H3,(H,33,34,35);2-9,14-15,19,23,29H,10-13,16H2,1H3,(H,30,31,32)
• InChIKey: GNZKQSGBIMNCOY-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 375.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.66
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158313700) is 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(C2Cc3ccccc3C(=O)N2C)c1=O)N(C)C.CCC(CC)c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(C2CN(C)c3ccccc3C2=O)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2Cc3ccccc3N(C)C2=O)c1=O.Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CSc3ccccc3C2=O)c1=O.

What is the InChIKey of 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GNZKQSGBIMNCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F3N7O2.C32H37N7O2.C31H33N7O2.C28H27N5O2S/c1-4-20(5-2)24-16-21-18-38-32(39-22-10-11-27(25(17-22)33(34,35)36)42-14-12-37-13-15-42)40-30(21)43(31(24)45)28-19-41(3)26-9-7-6-8-23(26)29(28)44;1-4-38(5-2)27-19-24-20-34-32(35-25-12-10-21(11-13-25)22-14-16-33-17-15-22)36-29(24)39(31(27)41)28-18-23-8-6-7-9-26(23)37(3)30(28)40;1-19(36(2)3)26-15-23-18-33-31(34-24-11-9-20(10-12-24)22-13-14-32-17-22)35-28(23)38(30(26)40)27-16-21-7-5-6-8-25(21)29(39)37(27)4;1-17-14-20-15-30-28(31-21-8-6-18(7-9-21)19-10-12-29-13-11-19)32-26(20)33(27(17)35)23-16-36-24-5-3-2-4-22(24)25(23)34/h6-11,16-18,20,28,37H,4-5,12-15,19H2,1-3H3,(H,38,39,40);6-13,19-20,22,28,33H,4-5,14-18H2,1-3H3,(H,34,35,36);5-12,15,18,22,27,32H,1,13-14,16-17H2,2-4H3,(H,33,34,35);2-9,14-15,19,23,29H,10-13,16H2,1H3,(H,30,31,32).

What are the key properties of 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2204.66 g/mol, XLogP of 19.16, 24 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylamino)-8-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(1-methyl-4-oxo-2,3-dihydroquinolin-3-yl)-6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-methyl-8-(4-oxo-2,3-dihydrothiochromen-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158313700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).