6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid

C59H56BBr2ClN12O7 — CID 158820090

About 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid

6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid (PubChem CID 158820090) has the molecular formula C59H56BBr2ClN12O7 and a molecular weight of 1251.25 g/mol. Its IUPAC name is 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid.

Molecular Properties

• Compound Name: 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid
• PubChem CID: 158820090
• Molecular Formula: C59H56BBr2ClN12O7
• Molecular Weight: 1251.25 g/mol
• Exact Mass: 1248.25
• IUPAC Name: 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid
• SMILES: CN.CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cccc(OC)c3)cc12.CNc1nc(-c2cccnc2)nc2c(OC)cc(Br)cc12.COc1cc(Br)cc2c(Cl)nc(-c3cccnc3)nc12.COc1cccc(B(O)O)c1
• InChI: InChI=1S/C22H20N4O2.C15H13BrN4O.C14H9BrClN3O.C7H9BO3.CH5N/c1-23-22-18-11-16(14-6-4-8-17(10-14)27-2)12-19(28-3)20(18)25-21(26-22)15-7-5-9-24-13-15;1-17-15-11-6-10(16)7-12(21-2)13(11)19-14(20-15)9-4-3-5-18-8-9;1-20-11-6-9(15)5-10-12(11)18-14(19-13(10)16)8-3-2-4-17-7-8;1-11-7-4-2-3-6(5-7)8(9)10;1-2/h4-13H,1-3H3,(H,23,25,26);3-8H,1-2H3,(H,17,19,20);2-7H,1H3;2-5,9-10H,1H3;2H2,1H3
• InChIKey: IVTIFDKQKAJPOG-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 252.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1251.25
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid?

The IUPAC name of 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid (CID 158820090) is 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid.

What is the SMILES notation for 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid?

The canonical SMILES for 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid is CN.CNc1nc(-c2cccnc2)nc2c(OC)cc(-c3cccc(OC)c3)cc12.CNc1nc(-c2cccnc2)nc2c(OC)cc(Br)cc12.COc1cc(Br)cc2c(Cl)nc(-c3cccnc3)nc12.COc1cccc(B(O)O)c1.

What is the InChIKey of 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid?

The InChIKey is IVTIFDKQKAJPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2.C15H13BrN4O.C14H9BrClN3O.C7H9BO3.CH5N/c1-23-22-18-11-16(14-6-4-8-17(10-14)27-2)12-19(28-3)20(18)25-21(26-22)15-7-5-9-24-13-15;1-17-15-11-6-10(16)7-12(21-2)13(11)19-14(20-15)9-4-3-5-18-8-9;1-20-11-6-9(15)5-10-12(11)18-14(19-13(10)16)8-3-2-4-17-7-8;1-11-7-4-2-3-6(5-7)8(9)10;1-2/h4-13H,1-3H3,(H,23,25,26);3-8H,1-2H3,(H,17,19,20);2-7H,1H3;2-5,9-10H,1H3;2H2,1H3.

What are the key properties of 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid?

6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid has a molecular weight of 1251.25 g/mol, XLogP of 10.99, 12 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline;6-bromo-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine;methanamine;8-methoxy-6-(3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine;(3-methoxyphenyl)boronic acid is sourced from PubChem (CID 158820090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).