6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one

C119H125ClN26O3S — CID 159671057

About 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one

6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one (PubChem CID 159671057) has the molecular formula C119H125ClN26O3S and a molecular weight of 2035.01 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one
• PubChem CID: 159671057
• Molecular Formula: C119H125ClN26O3S
• Molecular Weight: 2035.01 g/mol
• Exact Mass: 2032.98
• IUPAC Name: 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one
• SMILES: C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1C(=O)c2ccccc2NC1(C)C.C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1COc2ccccc2C1.C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1CSc2ccccc2C1.CN1CCN(c2ccc(Nc3ncc4cc(-c5ccccc5Cl)c(=O)n(C5CNc6ccccc6C5)c4n3)cc2)CC1
• InChI: InChI=1S/C33H32ClN7O.C30H33N7O.C28H30N6O.C28H30N6S/c1-39-14-16-40(17-15-39)25-12-10-24(11-13-25)37-33-36-20-23-19-28(27-7-3-4-8-29(27)34)32(42)41(31(23)38-33)26-18-22-6-2-5-9-30(22)35-21-26;1-20-9-10-21-19-31-29(32-22-11-13-23(14-12-22)36-17-15-35(4)16-18-36)33-28(21)37(20)27-26(38)24-7-5-6-8-25(24)34-30(27,2)3;2*1-20-7-8-22-18-29-28(30-23-9-11-24(12-10-23)33-15-13-32(2)14-16-33)31-27(22)34(20)25-17-21-5-3-4-6-26(21)35-19-25/h2-13,19-20,26,35H,14-18,21H2,1H3,(H,36,37,38);5-14,19,27,34H,1,15-18H2,2-4H3,(H,31,32,33);2*3-12,18,25H,1,13-17,19H2,2H3,(H,29,30,31)
• InChIKey: MTZSNFZMUUNPEP-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 259.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2035.01
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

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-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one?

The IUPAC name of 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one (CID 159671057) is 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one.

What is the SMILES notation for 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one?

The canonical SMILES for 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one is C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1C(=O)c2ccccc2NC1(C)C.C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1COc2ccccc2C1.C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1CSc2ccccc2C1.CN1CCN(c2ccc(Nc3ncc4cc(-c5ccccc5Cl)c(=O)n(C5CNc6ccccc6C5)c4n3)cc2)CC1.

What is the InChIKey of 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one?

The InChIKey is MTZSNFZMUUNPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClN7O.C30H33N7O.C28H30N6O.C28H30N6S/c1-39-14-16-40(17-15-39)25-12-10-24(11-13-25)37-33-36-20-23-19-28(27-7-3-4-8-29(27)34)32(42)41(31(23)38-33)26-18-22-6-2-5-9-30(22)35-21-26;1-20-9-10-21-19-31-29(32-22-11-13-23(14-12-22)36-17-15-35(4)16-18-36)33-28(21)37(20)27-26(38)24-7-5-6-8-25(24)34-30(27,2)3;2*1-20-7-8-22-18-29-28(30-23-9-11-24(12-10-23)33-15-13-32(2)14-16-33)31-27(22)34(20)25-17-21-5-3-4-6-26(21)35-19-25/h2-13,19-20,26,35H,14-18,21H2,1H3,(H,36,37,38);5-14,19,27,34H,1,15-18H2,2-4H3,(H,31,32,33);2*3-12,18,25H,1,13-17,19H2,2H3,(H,29,30,31).

What are the key properties of 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one?

6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one has a molecular weight of 2035.01 g/mol, XLogP of 19.95, 17 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;8-(3,4-dihydro-2H-chromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;8-(3,4-dihydro-2H-thiochromen-3-yl)-7-methylidene-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine;2,2-dimethyl-3-[7-methylidene-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-8-yl]-1,3-dihydroquinolin-4-one is sourced from PubChem (CID 159671057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).