6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one

C121H129N27O9S — CID 159575969

About 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159575969) has the molecular formula C121H129N27O9S and a molecular weight of 2137.61 g/mol. Its IUPAC name is 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159575969
• Molecular Formula: C121H129N27O9S
• Molecular Weight: 2137.61 g/mol
• Exact Mass: 2136.02
• IUPAC Name: 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(C2CNc3ccccc3C2=O)c1=O)N(C)C.CCN(CC)c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2Cc3ccccc3N(C)C2)c1=O.CN1CCN(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(C5CSc6ccccc6C5)c4n3)cc2)CC1.Cc1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2COc3ccccc3C2=O)c1=O
• InChI: InChI=1S/C31H32N8OS.C31H37N7O2.C30H31N7O3.C29H29N5O3/c1-36-13-15-38(16-14-36)24-9-7-23(8-10-24)34-31-33-19-22-18-26(29-32-11-12-37(29)2)30(40)39(28(22)35-31)25-17-21-5-3-4-6-27(21)41-20-25;1-4-37(5-2)27-17-23-18-33-31(34-24-12-10-21(11-13-24)28-19-32-14-15-40-28)35-29(23)38(30(27)39)25-16-22-8-6-7-9-26(22)36(3)20-25;1-18(36(2)3)24-14-19-15-33-30(34-20-8-10-21(11-9-20)40-22-12-13-31-16-22)35-28(19)37(29(24)39)26-17-32-25-7-5-4-6-23(25)27(26)38;1-18-14-21-15-30-29(31-22-11-9-19(10-12-22)20-6-5-13-33(2)16-20)32-27(21)34(28(18)36)24-17-37-25-8-4-3-7-23(25)26(24)35/h3-12,18-19,25H,13-17,20H2,1-2H3,(H,33,34,35);6-13,17-18,25,28,32H,4-5,14-16,19-20H2,1-3H3,(H,33,34,35);4-11,14-15,22,26,31-32H,1,12-13,16-17H2,2-3H3,(H,33,34,35);3-4,7-12,14-15,20,24H,5-6,13,16-17H2,1-2H3,(H,30,31,32)
• InChIKey: MIKHLVHCYKAUKD-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 374.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.61
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

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-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 159575969) is 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(C2CNc3ccccc3C2=O)c1=O)N(C)C.CCN(CC)c1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(C2Cc3ccccc3N(C)C2)c1=O.CN1CCN(c2ccc(Nc3ncc4cc(-c5nccn5C)c(=O)n(C5CSc6ccccc6C5)c4n3)cc2)CC1.Cc1cc2cnc(Nc3ccc(C4CCCN(C)C4)cc3)nc2n(C2COc3ccccc3C2=O)c1=O.

What is the InChIKey of 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MIKHLVHCYKAUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8OS.C31H37N7O2.C30H31N7O3.C29H29N5O3/c1-36-13-15-38(16-14-36)24-9-7-23(8-10-24)34-31-33-19-22-18-26(29-32-11-12-37(29)2)30(40)39(28(22)35-31)25-17-21-5-3-4-6-27(21)41-20-25;1-4-37(5-2)27-17-23-18-33-31(34-24-12-10-21(11-13-24)28-19-32-14-15-40-28)35-29(23)38(30(27)39)25-16-22-8-6-7-9-26(22)36(3)20-25;1-18(36(2)3)24-14-19-15-33-30(34-20-8-10-21(11-9-20)40-22-12-13-31-16-22)35-28(19)37(29(24)39)26-17-32-25-7-5-4-6-23(25)27(26)38;1-18-14-21-15-30-29(31-22-11-9-19(10-12-22)20-6-5-13-33(2)16-20)32-27(21)34(28(18)36)24-17-37-25-8-4-3-7-23(25)26(24)35/h3-12,18-19,25H,13-17,20H2,1-2H3,(H,33,34,35);6-13,17-18,25,28,32H,4-5,14-16,19-20H2,1-3H3,(H,33,34,35);4-11,14-15,22,26,31-32H,1,12-13,16-17H2,2-3H3,(H,33,34,35);3-4,7-12,14-15,20,24H,5-6,13,16-17H2,1-2H3,(H,30,31,32).

What are the key properties of 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2137.61 g/mol, XLogP of 16.98, 23 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylamino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-thiochromen-3-yl)-6-(1-methylimidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-8-(4-oxo-2,3-dihydro-1H-quinolin-3-yl)-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-methyl-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(4-oxo-2,3-dihydrochromen-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159575969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).