6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline

C97H103Br2N23O11S3 — CID 158333063

About 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline

6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline (PubChem CID 158333063) has the molecular formula C97H103Br2N23O11S3 and a molecular weight of 2023.05 g/mol. Its IUPAC name is 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline.

Molecular Properties

• Compound Name: 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline
• PubChem CID: 158333063
• Molecular Formula: C97H103Br2N23O11S3
• Molecular Weight: 2023.05 g/mol
• Exact Mass: 2019.57
• IUPAC Name: 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline
• SMILES: CC(C)(C)OC(=O)N1CCC(O)C1.CC(C)(C)OC(=O)N1CCC(Oc2cnc3ccc(Br)cc3c2)C1.Cn1cc(-c2ccc3n[nH]c(=S)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(OC6CCN(C(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(OC6CCNC6)cc5c4)n3c2)cn1.Oc1cnc2ccc(Br)cc2c1
• InChI: InChI=1S/C28H29N7O3S.C23H21N7OS.C18H21BrN2O3.C10H9N5S.C9H6BrNO.C9H17NO3/c1-28(2,3)38-27(36)34-10-9-21(17-34)37-22-11-19-12-23(6-7-24(19)29-14-22)39-26-32-31-25-8-5-18(16-35(25)26)20-13-30-33(4)15-20;1-29-13-17(10-26-29)15-2-5-22-27-28-23(30(22)14-15)32-20-3-4-21-16(9-20)8-19(12-25-21)31-18-6-7-24-11-18;1-18(2,3)24-17(22)21-7-6-14(11-21)23-15-9-12-8-13(19)4-5-16(12)20-10-15;1-14-5-8(4-11-14)7-2-3-9-12-13-10(16)15(9)6-7;10-7-1-2-9-6(3-7)4-8(12)5-11-9;1-9(2,3)13-8(12)10-5-4-7(11)6-10/h5-8,11-16,21H,9-10,17H2,1-4H3;2-5,8-10,12-14,18,24H,6-7,11H2,1H3;4-5,8-10,14H,6-7,11H2,1-3H3;2-6H,1H3,(H,13,16);1-5,12H;7,11H,4-6H2,1-3H3
• InChIKey: GQFYMECESJBWEW-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 367.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.05
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline?

The IUPAC name of 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline (CID 158333063) is 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline.

What is the SMILES notation for 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline?

The canonical SMILES for 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline is CC(C)(C)OC(=O)N1CCC(O)C1.CC(C)(C)OC(=O)N1CCC(Oc2cnc3ccc(Br)cc3c2)C1.Cn1cc(-c2ccc3n[nH]c(=S)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(OC6CCN(C(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1.Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(OC6CCNC6)cc5c4)n3c2)cn1.Oc1cnc2ccc(Br)cc2c1.

What is the InChIKey of 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline?

The InChIKey is GQFYMECESJBWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O3S.C23H21N7OS.C18H21BrN2O3.C10H9N5S.C9H6BrNO.C9H17NO3/c1-28(2,3)38-27(36)34-10-9-21(17-34)37-22-11-19-12-23(6-7-24(19)29-14-22)39-26-32-31-25-8-5-18(16-35(25)26)20-13-30-33(4)15-20;1-29-13-17(10-26-29)15-2-5-22-27-28-23(30(22)14-15)32-20-3-4-21-16(9-20)8-19(12-25-21)31-18-6-7-24-11-18;1-18(2,3)24-17(22)21-7-6-14(11-21)23-15-9-12-8-13(19)4-5-16(12)20-10-15;1-14-5-8(4-11-14)7-2-3-9-12-13-10(16)15(9)6-7;10-7-1-2-9-6(3-7)4-8(12)5-11-9;1-9(2,3)13-8(12)10-5-4-7(11)6-10/h5-8,11-16,21H,9-10,17H2,1-4H3;2-5,8-10,12-14,18,24H,6-7,11H2,1H3;4-5,8-10,14H,6-7,11H2,1-3H3;2-6H,1H3,(H,13,16);1-5,12H;7,11H,4-6H2,1-3H3.

What are the key properties of 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline?

6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline has a molecular weight of 2023.05 g/mol, XLogP of 18.66, 13 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromoquinolin-3-ol;tert-butyl 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylate;tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]oxypyrrolidine-1-carboxylate;6-(1-methylpyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-pyrrolidin-3-yloxyquinoline is sourced from PubChem (CID 158333063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).