1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

C102H102N14O7 — CID 158832143

About 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]

1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 158832143) has the molecular formula C102H102N14O7 and a molecular weight of 1636.03 g/mol. Its IUPAC name is 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

• Compound Name: 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
• PubChem CID: 158832143
• Molecular Formula: C102H102N14O7
• Molecular Weight: 1636.03 g/mol
• Exact Mass: 1634.81
• IUPAC Name: 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
• SMILES: COc1ccc2ncnc(N3CCC4(CC3)OCc3ccccc34)c2c1.Cc1cccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)c1.Cc1nc(N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1.c1ccc2c(c1)COC21CCN(c2cnc3ccccc3n2)CC1.c1ccc2c(c1)COC21CCN(c2ncnc3ccccc23)CC1
• InChI: InChI=1S/C21H21N3O2.C21H21N3O.2C20H19N3O.C20H22N2O2/c1-25-16-6-7-19-17(12-16)20(23-14-22-19)24-10-8-21(9-11-24)18-5-3-2-4-15(18)13-26-21;1-15-22-19-9-5-3-7-17(19)20(23-15)24-12-10-21(11-13-24)18-8-4-2-6-16(18)14-25-21;1-3-7-17-15(5-1)13-24-20(17)9-11-23(12-10-20)19-16-6-2-4-8-18(16)21-14-22-19;1-2-6-16-15(5-1)14-24-20(16)9-11-23(12-10-20)19-13-21-17-7-3-4-8-18(17)22-19;1-15-5-4-7-17(13-15)21-19(23)22-11-9-20(10-12-22)18-8-3-2-6-16(18)14-24-20/h2-7,12,14H,8-11,13H2,1H3;2-9H,10-14H2,1H3;1-8,14H,9-13H2;1-8,13H,9-12,14H2;2-8,13H,9-12,14H2,1H3,(H,21,23)
• InChIKey: IXEGJIFYTRKRQR-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 203.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.03
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?

The IUPAC name of 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 158832143) is 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine].

What is the SMILES notation for 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?

The canonical SMILES for 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is COc1ccc2ncnc(N3CCC4(CC3)OCc3ccccc34)c2c1.Cc1cccc(NC(=O)N2CCC3(CC2)OCc2ccccc23)c1.Cc1nc(N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1.c1ccc2c(c1)COC21CCN(c2cnc3ccccc3n2)CC1.c1ccc2c(c1)COC21CCN(c2ncnc3ccccc23)CC1.

What is the InChIKey of 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?

The InChIKey is IXEGJIFYTRKRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2.C21H21N3O.2C20H19N3O.C20H22N2O2/c1-25-16-6-7-19-17(12-16)20(23-14-22-19)24-10-8-21(9-11-24)18-5-3-2-4-15(18)13-26-21;1-15-22-19-9-5-3-7-17(19)20(23-15)24-12-10-21(11-13-24)18-8-4-2-6-16(18)14-25-21;1-3-7-17-15(5-1)13-24-20(17)9-11-23(12-10-20)19-16-6-2-4-8-18(16)21-14-22-19;1-2-6-16-15(5-1)14-24-20(16)9-11-23(12-10-20)19-13-21-17-7-3-4-8-18(17)22-19;1-15-5-4-7-17(13-15)21-19(23)22-11-9-20(10-12-22)18-8-3-2-6-16(18)14-24-20/h2-7,12,14H,8-11,13H2,1H3;2-9H,10-14H2,1H3;1-8,14H,9-13H2;1-8,13H,9-12,14H2;2-8,13H,9-12,14H2,1H3,(H,21,23).

What are the key properties of 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]?

1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 1636.03 g/mol, XLogP of 18.99, 6 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(6-methoxyquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];N-(3-methylphenyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide;1'-(2-methylquinazolin-4-yl)spiro[1H-2-benzofuran-3,4'-piperidine];1'-quinazolin-4-ylspiro[1H-2-benzofuran-3,4'-piperidine];1'-quinoxalin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 158832143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).