6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid

C133H113N11O21 — CID 157149964

About 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid

6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid (PubChem CID 157149964) has the molecular formula C133H113N11O21 and a molecular weight of 2201.42 g/mol. Its IUPAC name is 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid
• PubChem CID: 157149964
• Molecular Formula: C133H113N11O21
• Molecular Weight: 2201.42 g/mol
• Exact Mass: 2199.81
• IUPAC Name: 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid
• SMILES: Cc1c(-c2cc(C(=O)O)c3c(OC4CC(c5ncccn5)C4)ccc(C)c3n2)oc2ccccc12.Cc1c(-c2cc(C(=O)O)c3c(OC4CC(c5ncco5)C4)ccc(C)c3n2)oc2ccccc12.Cc1c(-c2cc(C(=O)O)c3c(OC4CCC(c5ncco5)CC4)ccc(C)c3n2)oc2ccccc12.Cc1c(-c2nc(C(=O)O)c3c(OCc4ccccc4)ccc(C)c3n2)oc2ccccc12.Cc1c(-c2nc(C(=O)O)c3cc(C(C)(C)C)cc(C)c3n2)oc2ccccc12
• InChI: InChI=1S/C29H26N2O5.C28H23N3O4.C27H22N2O5.C26H20N2O4.C23H22N2O3/c1-16-7-12-24(35-19-10-8-18(9-11-19)28-30-13-14-34-28)25-21(29(32)33)15-22(31-26(16)25)27-17(2)20-5-3-4-6-23(20)36-27;1-15-8-9-23(34-18-12-17(13-18)27-29-10-5-11-30-27)24-20(28(32)33)14-21(31-25(15)24)26-16(2)19-6-3-4-7-22(19)35-26;1-14-7-8-22(33-17-11-16(12-17)26-28-9-10-32-26)23-19(27(30)31)13-20(29-24(14)23)25-15(2)18-5-3-4-6-21(18)34-25;1-15-12-13-20(31-14-17-8-4-3-5-9-17)21-22(15)27-25(28-23(21)26(29)30)24-16(2)18-10-6-7-11-19(18)32-24;1-12-10-14(23(3,4)5)11-16-18(12)24-21(25-19(16)22(26)27)20-13(2)15-8-6-7-9-17(15)28-20/h3-7,12-15,18-19H,8-11H2,1-2H3,(H,32,33);3-11,14,17-18H,12-13H2,1-2H3,(H,32,33);3-10,13,16-17H,11-12H2,1-2H3,(H,30,31);3-13H,14H2,1-2H3,(H,29,30);6-11H,1-5H3,(H,26,27)
• InChIKey: ALDGSWXOABVSHU-UHFFFAOYSA-N
• XLogP: 31.00
• TPSA: 457.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2201.42
LogP ≤ 5	31.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid?

The IUPAC name of 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid (CID 157149964) is 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid.

What is the SMILES notation for 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid?

The canonical SMILES for 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid is Cc1c(-c2cc(C(=O)O)c3c(OC4CC(c5ncccn5)C4)ccc(C)c3n2)oc2ccccc12.Cc1c(-c2cc(C(=O)O)c3c(OC4CC(c5ncco5)C4)ccc(C)c3n2)oc2ccccc12.Cc1c(-c2cc(C(=O)O)c3c(OC4CCC(c5ncco5)CC4)ccc(C)c3n2)oc2ccccc12.Cc1c(-c2nc(C(=O)O)c3c(OCc4ccccc4)ccc(C)c3n2)oc2ccccc12.Cc1c(-c2nc(C(=O)O)c3cc(C(C)(C)C)cc(C)c3n2)oc2ccccc12.

What is the InChIKey of 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid?

The InChIKey is ALDGSWXOABVSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5.C28H23N3O4.C27H22N2O5.C26H20N2O4.C23H22N2O3/c1-16-7-12-24(35-19-10-8-18(9-11-19)28-30-13-14-34-28)25-21(29(32)33)15-22(31-26(16)25)27-17(2)20-5-3-4-6-23(20)36-27;1-15-8-9-23(34-18-12-17(13-18)27-29-10-5-11-30-27)24-20(28(32)33)14-21(31-25(15)24)26-16(2)19-6-3-4-7-22(19)35-26;1-14-7-8-22(33-17-11-16(12-17)26-28-9-10-32-26)23-19(27(30)31)13-20(29-24(14)23)25-15(2)18-5-3-4-6-21(18)34-25;1-15-12-13-20(31-14-17-8-4-3-5-9-17)21-22(15)27-25(28-23(21)26(29)30)24-16(2)18-10-6-7-11-19(18)32-24;1-12-10-14(23(3,4)5)11-16-18(12)24-21(25-19(16)22(26)27)20-13(2)15-8-6-7-9-17(15)28-20/h3-7,12-15,18-19H,8-11H2,1-2H3,(H,32,33);3-11,14,17-18H,12-13H2,1-2H3,(H,32,33);3-10,13,16-17H,11-12H2,1-2H3,(H,30,31);3-13H,14H2,1-2H3,(H,29,30);6-11H,1-5H3,(H,26,27).

What are the key properties of 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid?

6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid has a molecular weight of 2201.42 g/mol, XLogP of 31.00, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[3-(1,3-oxazol-2-yl)cyclobutyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[4-(1,3-oxazol-2-yl)cyclohexyl]oxyquinoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinazoline-4-carboxylic acid;8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-(3-pyrimidin-2-ylcyclobutyl)oxyquinoline-4-carboxylic acid is sourced from PubChem (CID 157149964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).