1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C72H84BBr2ClN10O8 — CID 158782805

About 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158782805) has the molecular formula C72H84BBr2ClN10O8 and a molecular weight of 1423.60 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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158782805
• Molecular Formula: C72H84BBr2ClN10O8
• Molecular Weight: 1423.60 g/mol
• Exact Mass: 1420.46
• 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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3cc(C)ccn3)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(O)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(Oc3cc(C)ccn3)c2CC[C@@H]1C.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.Cc1ccnc(Cl)c1
• InChI: InChI=1S/C24H26N4O2.C18H19BrN2O2.C12H19BN2O2.C12H14BrNO2.C6H6ClN/c1-15-10-11-25-23(12-15)30-24-20(18-13-26-27(14-18)19-5-6-19)8-9-22-21(24)7-4-16(2)28(22)17(3)29;1-11-8-9-20-17(10-11)23-18-14-5-4-12(2)21(13(3)22)16(14)7-6-15(18)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;1-5-2-3-8-6(7)4-5/h8-14,16,19H,4-7H2,1-3H3;6-10,12H,4-5H2,1-3H3;7-8,10H,5-6H2,1-4H3;5-7,16H,3-4H2,1-2H3;2-4H,1H3/t16-;12-;;7-;/m00.0./s1
• InChIKey: IRHJPFXQHDIFLM-JOJBISRHSA-N
• XLogP: 16.10
• TPSA: 192.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1423.60
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158782805) is 1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(Oc3cc(C)ccn3)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(O)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(Oc3cc(C)ccn3)c2CC[C@@H]1C.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.Cc1ccnc(Cl)c1.

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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is IRHJPFXQHDIFLM-JOJBISRHSA-N. The full InChI is InChI=1S/C24H26N4O2.C18H19BrN2O2.C12H19BN2O2.C12H14BrNO2.C6H6ClN/c1-15-10-11-25-23(12-15)30-24-20(18-13-26-27(14-18)19-5-6-19)8-9-22-21(24)7-4-16(2)28(22)17(3)29;1-11-8-9-20-17(10-11)23-18-14-5-4-12(2)21(13(3)22)16(14)7-6-15(18)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;1-5-2-3-8-6(7)4-5/h8-14,16,19H,4-7H2,1-3H3;6-10,12H,4-5H2,1-3H3;7-8,10H,5-6H2,1-4H3;5-7,16H,3-4H2,1-2H3;2-4H,1H3/t16-;12-;;7-;/m00.0./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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1423.60 g/mol, XLogP of 16.10, 8 rotatable bonds, 1 hydrogen bond donors, and 15 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-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;2-chloro-4-methylpyridine;1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158782805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).