1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C82H93B3Br2N14O8 — CID 158924062

About 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158924062) has the molecular formula C82H93B3Br2N14O8 and a molecular weight of 1594.98 g/mol. Its IUPAC name is 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;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: 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158924062
• Molecular Formula: C82H93B3Br2N14O8
• Molecular Weight: 1594.98 g/mol
• Exact Mass: 1592.59
• IUPAC Name: 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(=O)N1CCc2cccc(Br)c2C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CNc1nc(-c2cccnc2)nc2ccc(-c3cccc4c3CN(C(C)=O)CC4)cc12.CNc1nc(-c2cccnc2)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.CNc1nc(-c2cccnc2)nc2ccc(Br)cc12
• InChI: InChI=1S/C25H23N5O.C20H23BN4O2.C14H11BrN4.C12H24B2O4.C11H12BrNO/c1-16(31)30-12-10-17-5-3-7-20(22(17)15-30)18-8-9-23-21(13-18)25(26-2)29-24(28-23)19-6-4-11-27-14-19;1-19(2)20(3,4)27-21(26-19)14-8-9-16-15(11-14)18(22-5)25-17(24-16)13-7-6-10-23-12-13;1-16-14-11-7-10(15)4-5-12(11)18-13(19-14)9-3-2-6-17-8-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8(14)13-6-5-9-3-2-4-11(12)10(9)7-13/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,28,29);6-12H,1-5H3,(H,22,24,25);2-8H,1H3,(H,16,18,19);1-8H3;2-4H,5-7H2,1H3
• InChIKey: JIEYWSPMQPEHEY-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 248.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.98
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;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 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158924062) is 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;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 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;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 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(=O)N1CCc2cccc(Br)c2C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CNc1nc(-c2cccnc2)nc2ccc(-c3cccc4c3CN(C(C)=O)CC4)cc12.CNc1nc(-c2cccnc2)nc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.CNc1nc(-c2cccnc2)nc2ccc(Br)cc12.

What is the InChIKey of 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is JIEYWSPMQPEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O.C20H23BN4O2.C14H11BrN4.C12H24B2O4.C11H12BrNO/c1-16(31)30-12-10-17-5-3-7-20(22(17)15-30)18-8-9-23-21(13-18)25(26-2)29-24(28-23)19-6-4-11-27-14-19;1-19(2)20(3,4)27-21(26-19)14-8-9-16-15(11-14)18(22-5)25-17(24-16)13-7-6-10-23-12-13;1-16-14-11-7-10(15)4-5-12(11)18-13(19-14)9-3-2-6-17-8-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8(14)13-6-5-9-3-2-4-11(12)10(9)7-13/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,28,29);6-12H,1-5H3,(H,22,24,25);2-8H,1H3,(H,16,18,19);1-8H3;2-4H,5-7H2,1H3.

What are the key properties of 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;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 1594.98 g/mol, XLogP of 15.44, 9 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-bromo-N-methyl-2-pyridin-3-ylquinazolin-4-amine;1-[8-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine;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 158924062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).