6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine

C68H63BBrN11O5 — CID 159363765

About 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine

6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine (PubChem CID 159363765) has the molecular formula C68H63BBrN11O5 and a molecular weight of 1205.04 g/mol. Its IUPAC name is 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine.

Molecular Properties

• Compound Name: 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine
• PubChem CID: 159363765
• Molecular Formula: C68H63BBrN11O5
• Molecular Weight: 1205.04 g/mol
• Exact Mass: 1203.43
• IUPAC Name: 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine
• SMILES: C1CCNC1.COc1cccc(B(O)O)c1.Cc1cccc(-c2ccc3nc(-c4cccnc4)[nH]c(=O)c3c2)c1.Cc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)c1.O=c1[nH]c(-c2cccnc2)nc2ccc(Br)cc12
• InChI: InChI=1S/C24H22N4.C20H15N3O.C13H8BrN3O.C7H9BO3.C4H9N/c1-17-6-4-7-18(14-17)19-9-10-22-21(15-19)24(28-12-2-3-13-28)27-23(26-22)20-8-5-11-25-16-20;1-13-4-2-5-14(10-13)15-7-8-18-17(11-15)20(24)23-19(22-18)16-6-3-9-21-12-16;14-9-3-4-11-10(6-9)13(18)17-12(16-11)8-2-1-5-15-7-8;1-11-7-4-2-3-6(5-7)8(9)10;1-2-4-5-3-1/h4-11,14-16H,2-3,12-13H2,1H3;2-12H,1H3,(H,22,23,24);1-7H,(H,16,17,18);2-5,9-10H,1H3;5H,1-4H2
• InChIKey: LIWCTTSXSNPJSR-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 220.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1205.04
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine?

The IUPAC name of 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine (CID 159363765) is 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine.

What is the SMILES notation for 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine?

The canonical SMILES for 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine is C1CCNC1.COc1cccc(B(O)O)c1.Cc1cccc(-c2ccc3nc(-c4cccnc4)[nH]c(=O)c3c2)c1.Cc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)c1.O=c1[nH]c(-c2cccnc2)nc2ccc(Br)cc12.

What is the InChIKey of 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine?

The InChIKey is LIWCTTSXSNPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4.C20H15N3O.C13H8BrN3O.C7H9BO3.C4H9N/c1-17-6-4-7-18(14-17)19-9-10-22-21(15-19)24(28-12-2-3-13-28)27-23(26-22)20-8-5-11-25-16-20;1-13-4-2-5-14(10-13)15-7-8-18-17(11-15)20(24)23-19(22-18)16-6-3-9-21-12-16;14-9-3-4-11-10(6-9)13(18)17-12(16-11)8-2-1-5-15-7-8;1-11-7-4-2-3-6(5-7)8(9)10;1-2-4-5-3-1/h4-11,14-16H,2-3,12-13H2,1H3;2-12H,1H3,(H,22,23,24);1-7H,(H,16,17,18);2-5,9-10H,1H3;5H,1-4H2.

What are the key properties of 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine?

6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine has a molecular weight of 1205.04 g/mol, XLogP of 11.72, 8 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-pyridin-3-yl-3H-quinazolin-4-one;(3-methoxyphenyl)boronic acid;6-(3-methylphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline;6-(3-methylphenyl)-2-pyridin-3-yl-3H-quinazolin-4-one;pyrrolidine is sourced from PubChem (CID 159363765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).