7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C121H121Cl2F18N23O6S2 — CID 160581251

About 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 160581251) has the molecular formula C121H121Cl2F18N23O6S2 and a molecular weight of 2470.46 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 160581251
• Molecular Formula: C121H121Cl2F18N23O6S2
• Molecular Weight: 2470.46 g/mol
• Exact Mass: 2467.84
• IUPAC Name: 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• SMILES: CC1(C)CCN(CCCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ccccc3C(F)(F)F)C4)ccc21.CC1(C)CCN(CCS(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ccccc3Cl)C4)ccc21.COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1C(F)(F)F)C2.COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1Cl)C2.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ccccc2C(F)(F)F)C3)cc1
• InChI: InChI=1S/C28H33F3N6O2S.C27H32ClN5O2S.C23H20F6N4O.C22H20ClF3N4O.C21H16F6N4/c1-27(2)11-14-36(12-5-15-40(32,38)39)25-16-19(8-9-21(25)27)35-26-20-10-13-37(17-23(20)33-18-34-26)24-7-4-3-6-22(24)28(29,30)31;1-27(2)11-13-32(14-15-36(3,34)35)25-16-19(8-9-21(25)27)31-26-20-10-12-33(17-23(20)29-18-30-26)24-7-5-4-6-22(24)28;1-34-13-20-31-18-12-33(19-5-3-2-4-17(19)23(27,28)29)11-10-16(18)21(32-20)30-15-8-6-14(7-9-15)22(24,25)26;1-31-13-20-28-18-12-30(19-5-3-2-4-17(19)23)11-10-16(18)21(29-20)27-15-8-6-14(7-9-15)22(24,25)26;22-20(23,24)13-5-7-14(8-6-13)30-19-15-9-10-31(11-17(15)28-12-29-19)18-4-2-1-3-16(18)21(25,26)27/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H2,32,38,39)(H,33,34,35);4-9,16,18H,10-15,17H2,1-3H3,(H,29,30,31);2-9H,10-13H2,1H3,(H,30,31,32);2-9H,10-13H2,1H3,(H,27,28,29);1-8,12H,9-11H2,(H,28,29,30)
• InChIKey: RBUSKUQIQPTZDK-UHFFFAOYSA-N
• XLogP: 27.33
• TPSA: 324.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.46
LogP ≤ 5	27.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 160581251) is 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC1(C)CCN(CCCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ccccc3C(F)(F)F)C4)ccc21.CC1(C)CCN(CCS(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ccccc3Cl)C4)ccc21.COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1C(F)(F)F)C2.COCc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ccccc1Cl)C2.FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ccccc2C(F)(F)F)C3)cc1.

What is the InChIKey of 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is RBUSKUQIQPTZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N6O2S.C27H32ClN5O2S.C23H20F6N4O.C22H20ClF3N4O.C21H16F6N4/c1-27(2)11-14-36(12-5-15-40(32,38)39)25-16-19(8-9-21(25)27)35-26-20-10-13-37(17-23(20)33-18-34-26)24-7-4-3-6-22(24)28(29,30)31;1-27(2)11-13-32(14-15-36(3,34)35)25-16-19(8-9-21(25)27)31-26-20-10-12-33(17-23(20)29-18-30-26)24-7-5-4-6-22(24)28;1-34-13-20-31-18-12-33(19-5-3-2-4-17(19)23(27,28)29)11-10-16(18)21(32-20)30-15-8-6-14(7-9-15)22(24,25)26;1-31-13-20-28-18-12-30(19-5-3-2-4-17(19)23)11-10-16(18)21(29-20)27-15-8-6-14(7-9-15)22(24,25)26;22-20(23,24)13-5-7-14(8-6-13)30-19-15-9-10-31(11-17(15)28-12-29-19)18-4-2-1-3-16(18)21(25,26)27/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H2,32,38,39)(H,33,34,35);4-9,16,18H,10-15,17H2,1-3H3,(H,29,30,31);2-9H,10-13H2,1H3,(H,30,31,32);2-9H,10-13H2,1H3,(H,27,28,29);1-8,12H,9-11H2,(H,28,29,30).

What are the key properties of 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2470.46 g/mol, XLogP of 27.33, 26 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chlorophenyl)-N-[4,4-dimethyl-1-(2-methylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[4,4-dimethyl-7-[[7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;2-(methoxymethyl)-7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 160581251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).