6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one

C159H167FN36O12 — CID 157314850

About 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157314850) has the molecular formula C159H167FN36O12 and a molecular weight of 2793.32 g/mol. Its IUPAC name is 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157314850
• Molecular Formula: C159H167FN36O12
• Molecular Weight: 2793.32 g/mol
• Exact Mass: 2791.35
• IUPAC Name: 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2CC(=O)c3ccccc3C2)c1=O)N(C)C.CCN(CC)c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(C5CNc6ccccc6C5=O)c4n3)cc2)CC1.Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(C2COc3ccccc3C2=O)c1=O
• InChI: InChI=1S/C35H33N5O4.C32H33N9O2.C32H38N8O2.C31H32FN7O2.C29H31N7O2/c1-22-8-3-4-10-27(22)29-18-23-19-36-35(37-24-13-15-25(16-14-24)44-26-9-7-17-39(2)20-26)38-33(23)40(34(29)42)30-21-43-31-12-6-5-11-28(31)32(30)41;1-39-14-11-23(12-15-39)36-21-7-9-22(10-8-21)37-32-35-18-20-17-25(30-33-13-16-40(30)2)31(43)41(29(20)38-32)27-19-34-26-6-4-3-5-24(26)28(27)42;1-4-39(5-2)28-19-22-20-34-32(35-23-10-12-24(13-11-23)38(3)25-14-16-33-17-15-25)37-29(22)40(31(28)42)27-18-21-8-6-7-9-26(21)36-30(27)41;1-19(37(2)3)25-15-21-18-34-31(35-22-8-9-27(26(32)16-22)38-12-10-33-11-13-38)36-29(21)39(30(25)41)23-14-20-6-4-5-7-24(20)28(40)17-23;1-18-14-20-16-30-29(32-22-11-9-21(10-12-22)31-23-7-5-13-35(2)17-23)34-26(20)36(28(18)38)25-15-19-6-3-4-8-24(19)27(37)33-25/h3-6,8,10-16,18-19,26,30H,7,9,17,20-21H2,1-2H3,(H,36,37,38);3-10,13,16-18,23,27,34,36H,11-12,14-15,19H2,1-2H3,(H,35,37,38);6-13,19-20,25,27,33H,4-5,14-18H2,1-3H3,(H,36,41)(H,34,35,37);4-9,15-16,18,23,33H,1,10-14,17H2,2-3H3,(H,34,35,36);3-4,6,8-12,14,16,23,25,31H,5,7,13,15,17H2,1-2H3,(H,33,37)(H,30,32,34)
• InChIKey: BDLXKLPVUUEPCQ-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 527.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 46
• Rotatable Bonds: 31
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2793.32
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	46

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)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 157314850) is 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(C2CC(=O)c3ccccc3C2)c1=O)N(C)C.CCN(CC)c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(C2Cc3ccccc3NC2=O)c1=O.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(C5CNc6ccccc6C5=O)c4n3)cc2)CC1.Cc1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(C2Cc3ccccc3C(=O)N2)c1=O.Cc1ccccc1-c1cc2cnc(Nc3ccc(OC4CCCN(C)C4)cc3)nc2n(C2COc3ccccc3C2=O)c1=O.

What is the InChIKey of 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BDLXKLPVUUEPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O4.C32H33N9O2.C32H38N8O2.C31H32FN7O2.C29H31N7O2/c1-22-8-3-4-10-27(22)29-18-23-19-36-35(37-24-13-15-25(16-14-24)44-26-9-7-17-39(2)20-26)38-33(23)40(34(29)42)30-21-43-31-12-6-5-11-28(31)32(30)41;1-39-14-11-23(12-15-39)36-21-7-9-22(10-8-21)37-32-35-18-20-17-25(30-33-13-16-40(30)2)31(43)41(29(20)38-32)27-19-34-26-6-4-3-5-24(26)28(27)42;1-4-39(5-2)28-19-22-20-34-32(35-23-10-12-24(13-11-23)38(3)25-14-16-33-17-15-25)37-29(22)40(31(28)42)27-18-21-8-6-7-9-26(21)36-30(27)41;1-19(37(2)3)25-15-21-18-34-31(35-22-8-9-27(26(32)16-22)38-12-10-33-11-13-38)36-29(21)39(30(25)41)23-14-20-6-4-5-7-24(20)28(40)17-23;1-18-14-20-16-30-29(32-22-11-9-21(10-12-22)31-23-7-5-13-35(2)17-23)34-26(20)36(28(18)38)25-15-19-6-3-4-8-24(19)27(37)33-25/h3-6,8,10-16,18-19,26,30H,7,9,17,20-21H2,1-2H3,(H,36,37,38);3-10,13,16-18,23,27,34,36H,11-12,14-15,19H2,1-2H3,(H,35,37,38);6-13,19-20,25,27,33H,4-5,14-18H2,1-3H3,(H,36,41)(H,34,35,37);4-9,15-16,18,23,33H,1,10-14,17H2,2-3H3,(H,34,35,36);3-4,6,8-12,14,16,23,25,31H,5,7,13,15,17H2,1-2H3,(H,33,37)(H,30,32,34).

What are the key properties of 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2793.32 g/mol, XLogP of 22.22, 31 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylamino)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(4-oxo-2,3-dihydro-1H-naphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methylphenyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157314850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).