7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C168H158B4Br2Cl2N38O19 — CID 159465623

About 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159465623) has the molecular formula C168H158B4Br2Cl2N38O19 and a molecular weight of 3287.32 g/mol. Its IUPAC name is 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159465623
• Molecular Formula: C168H158B4Br2Cl2N38O19
• Molecular Weight: 3287.32 g/mol
• Exact Mass: 3283.07
• IUPAC Name: 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(-c2ccc3ccc(C(=O)Nc4ccnnc4)nc3c2)n1.CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(Cl)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3ccc(C(=O)Cc4ccnnc4)nc3c2)OC1(C)C.CC1(C)OB(c2ccc3ccc(C(=O)Cc4ccnnc4)nc3c2)OC1(C)C.Clc1nccc(Nc2ccc3c(c2)C=NC3)n1.Nc1ccnnc1.O=C(Cc1ccnnc1)c1ccc2ccc(Br)cc2n1.O=C(Nc1ccnnc1)c1ccc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2n1.O=C(O)c1ccc2ccc(Br)cc2n1
• InChI: InChI=1S/C31H26N8O3.C25H17N9O.2C21H22BN3O3.C17H17ClN4O2.C15H10BrN3O.C12H24B2O4.C12H9ClN4.C10H6BrNO2.C4H5N3/c1-31(2,3)42-30(41)39(24-8-6-21-16-32-17-22(21)14-24)27-11-12-33-28(38-27)20-5-4-19-7-9-25(37-26(19)15-20)29(40)36-23-10-13-34-35-18-23;35-25(31-19-7-10-27-28-14-19)21-5-3-15-1-2-16(12-22(15)32-21)24-26-9-8-23(33-24)30-18-4-6-20-17(11-18)13-29-34-20;2*1-20(2)21(3,4)28-22(27-20)16-7-5-15-6-8-17(25-18(15)12-16)19(26)11-14-9-10-23-24-13-14;1-17(2,3)24-16(23)22(14-6-7-20-15(18)21-14)13-5-4-11-9-19-10-12(11)8-13;16-12-3-1-11-2-4-13(19-14(11)8-12)15(20)7-10-5-6-17-18-9-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12-15-4-3-11(17-12)16-10-2-1-8-6-14-7-9(8)5-10;11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7;5-4-1-2-6-7-3-4/h4-15,17-18H,16H2,1-3H3,(H,34,36,40);1-14H,(H,29,34)(H,26,30,33)(H,27,31,35);2*5-10,12-13H,11H2,1-4H3;4-8,10H,9H2,1-3H3;1-6,8-9H,7H2;1-8H3;1-5,7H,6H2,(H,15,16,17);1-5H,(H,13,14);1-3H,(H2,5,6)
• InChIKey: LVDIDXOXVGEAMQ-UHFFFAOYSA-N
• XLogP: 30.75
• TPSA: 730.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 51
• Rotatable Bonds: 27
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3287.32
LogP ≤ 5	30.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159465623) is 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(-c2ccc3ccc(C(=O)Nc4ccnnc4)nc3c2)n1.CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(Cl)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3ccc(C(=O)Cc4ccnnc4)nc3c2)OC1(C)C.CC1(C)OB(c2ccc3ccc(C(=O)Cc4ccnnc4)nc3c2)OC1(C)C.Clc1nccc(Nc2ccc3c(c2)C=NC3)n1.Nc1ccnnc1.O=C(Cc1ccnnc1)c1ccc2ccc(Br)cc2n1.O=C(Nc1ccnnc1)c1ccc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2n1.O=C(O)c1ccc2ccc(Br)cc2n1.

What is the InChIKey of 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is LVDIDXOXVGEAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N8O3.C25H17N9O.2C21H22BN3O3.C17H17ClN4O2.C15H10BrN3O.C12H24B2O4.C12H9ClN4.C10H6BrNO2.C4H5N3/c1-31(2,3)42-30(41)39(24-8-6-21-16-32-17-22(21)14-24)27-11-12-33-28(38-27)20-5-4-19-7-9-25(37-26(19)15-20)29(40)36-23-10-13-34-35-18-23;35-25(31-19-7-10-27-28-14-19)21-5-3-15-1-2-16(12-22(15)32-21)24-26-9-8-23(33-24)30-18-4-6-20-17(11-18)13-29-34-20;2*1-20(2)21(3,4)28-22(27-20)16-7-5-15-6-8-17(25-18(15)12-16)19(26)11-14-9-10-23-24-13-14;1-17(2,3)24-16(23)22(14-6-7-20-15(18)21-14)13-5-4-11-9-19-10-12(11)8-13;16-12-3-1-11-2-4-13(19-14(11)8-12)15(20)7-10-5-6-17-18-9-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12-15-4-3-11(17-12)16-10-2-1-8-6-14-7-9(8)5-10;11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7;5-4-1-2-6-7-3-4/h4-15,17-18H,16H2,1-3H3,(H,34,36,40);1-14H,(H,29,34)(H,26,30,33)(H,27,31,35);2*5-10,12-13H,11H2,1-4H3;4-8,10H,9H2,1-3H3;1-6,8-9H,7H2;1-8H3;1-5,7H,6H2,(H,15,16,17);1-5H,(H,13,14);1-3H,(H2,5,6).

What are the key properties of 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3287.32 g/mol, XLogP of 30.75, 27 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromoquinoline-2-carboxylic acid;1-(7-bromoquinolin-2-yl)-2-pyridazin-4-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(pyridazin-4-ylcarbamoyl)quinolin-7-yl]pyrimidin-4-yl]carbamate;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-pyridazin-4-ylquinoline-2-carboxamide;pyridazin-4-amine;bis(2-pyridazin-4-yl-1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethanone);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159465623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).