1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran

C119H135BBr2Cl2N28O14 — CID 158084808

About 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran

1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran (PubChem CID 158084808) has the molecular formula C119H135BBr2Cl2N28O14 and a molecular weight of 2423.10 g/mol. Its IUPAC name is 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran.

Molecular Properties

• Compound Name: 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran
• PubChem CID: 158084808
• Molecular Formula: C119H135BBr2Cl2N28O14
• Molecular Weight: 2423.10 g/mol
• Exact Mass: 2418.85
• IUPAC Name: 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran
• SMILES: C1=COCCC1.CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncc4c(n3)N=CC4)c2CC[C@@H]1C.CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncc4c(ncn4C4CCCCO4)n3)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(O)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(Oc3ncc4c(ncn4C4CCCCO4)n3)c2CC[C@@H]1C.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.Clc1ncc2c(n1)N=CC2.Clc1ncc2c(ncn2C2CCCCO2)n1
• InChI: InChI=1S/C28H31N7O3.C24H24N6O2.C22H24BrN5O3.C12H19BN2O2.C12H14BrNO2.C10H11ClN4O.C6H4ClN3.C5H8O/c1-17-6-9-22-23(35(17)18(2)36)11-10-21(19-13-31-34(15-19)20-7-8-20)26(22)38-28-29-14-24-27(32-28)30-16-33(24)25-5-3-4-12-37-25;1-14-3-6-20-21(30(14)15(2)31)8-7-19(17-12-27-29(13-17)18-4-5-18)22(20)32-24-26-11-16-9-10-25-23(16)28-24;1-13-6-7-15-17(28(13)14(2)29)9-8-16(23)20(15)31-22-24-11-18-21(26-22)25-12-27(18)19-5-3-4-10-30-19;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-7-3-4-9-11(14(7)8(2)15)6-5-10(13)12(9)16;11-10-12-5-7-9(14-10)13-6-15(7)8-3-1-2-4-16-8;7-6-9-3-4-1-2-8-5(4)10-6;1-2-4-6-5-3-1/h10-11,13-17,20,25H,3-9,12H2,1-2H3;7-8,10-14,18H,3-6,9H2,1-2H3;8-9,11-13,19H,3-7,10H2,1-2H3;7-8,10H,5-6H2,1-4H3;5-7,16H,3-4H2,1-2H3;5-6,8H,1-4H2;2-3H,1H2;2,4H,1,3,5H2/t17-,25?;14-;13-,19?;;7-;;;/m000.0.../s1
• InChIKey: FNJOYUJWDCXRAW-RSXGMIKNSA-N
• XLogP: 23.62
• TPSA: 445.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 15
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2423.10
LogP ≤ 5	23.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran?

The IUPAC name of 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran (CID 158084808) is 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran.

What is the SMILES notation for 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran?

The canonical SMILES for 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran is C1=COCCC1.CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncc4c(n3)N=CC4)c2CC[C@@H]1C.CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3ncc4c(ncn4C4CCCCO4)n3)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(O)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(Oc3ncc4c(ncn4C4CCCCO4)n3)c2CC[C@@H]1C.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.Clc1ncc2c(n1)N=CC2.Clc1ncc2c(ncn2C2CCCCO2)n1.

What is the InChIKey of 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran?

The InChIKey is FNJOYUJWDCXRAW-RSXGMIKNSA-N. The full InChI is InChI=1S/C28H31N7O3.C24H24N6O2.C22H24BrN5O3.C12H19BN2O2.C12H14BrNO2.C10H11ClN4O.C6H4ClN3.C5H8O/c1-17-6-9-22-23(35(17)18(2)36)11-10-21(19-13-31-34(15-19)20-7-8-20)26(22)38-28-29-14-24-27(32-28)30-16-33(24)25-5-3-4-12-37-25;1-14-3-6-20-21(30(14)15(2)31)8-7-19(17-12-27-29(13-17)18-4-5-18)22(20)32-24-26-11-16-9-10-25-23(16)28-24;1-13-6-7-15-17(28(13)14(2)29)9-8-16(23)20(15)31-22-24-11-18-21(26-22)25-12-27(18)19-5-3-4-10-30-19;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-7-3-4-9-11(14(7)8(2)15)6-5-10(13)12(9)16;11-10-12-5-7-9(14-10)13-6-15(7)8-3-1-2-4-16-8;7-6-9-3-4-1-2-8-5(4)10-6;1-2-4-6-5-3-1/h10-11,13-17,20,25H,3-9,12H2,1-2H3;7-8,10-14,18H,3-6,9H2,1-2H3;8-9,11-13,19H,3-7,10H2,1-2H3;7-8,10H,5-6H2,1-4H3;5-7,16H,3-4H2,1-2H3;5-6,8H,1-4H2;2-3H,1H2;2,4H,1,3,5H2/t17-,25?;14-;13-,19?;;7-;;;/m000.0.../s1.

What are the key properties of 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran?

1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran has a molecular weight of 2423.10 g/mol, XLogP of 23.62, 15 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-7-(oxan-2-yl)purine;2-chloro-5H-pyrrolo[2,3-d]pyrimidine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[7-(oxan-2-yl)purin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(5H-pyrrolo[2,3-d]pyrimidin-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,4-dihydro-2H-pyran is sourced from PubChem (CID 158084808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).