6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C72H80N10O13 — CID 162207773

About 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 162207773) has the molecular formula C72H80N10O13 and a molecular weight of 1293.49 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

• Compound Name: 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
• PubChem CID: 162207773
• Molecular Formula: C72H80N10O13
• Molecular Weight: 1293.49 g/mol
• Exact Mass: 1292.59
• IUPAC Name: 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
• SMILES: CN(C)CCOc1ccc2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.COc1ccc(COc2nc(N3CCC4(CC3)OC(=O)c3cc(O)ccc34)nc3c2CCCC3)cc1.O=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccc(O)cc21
• InChI: InChI=1S/C28H29N3O5.C24H30N4O4.C20H21N3O4/c1-34-20-9-6-18(7-10-20)17-35-25-21-4-2-3-5-24(21)29-27(30-25)31-14-12-28(13-15-31)23-11-8-19(32)16-22(23)26(33)36-28;1-27(2)13-14-31-16-7-8-19-18(15-16)22(30)32-24(19)9-11-28(12-10-24)23-25-20-6-4-3-5-17(20)21(29)26-23;24-12-5-6-15-14(11-12)18(26)27-20(15)7-9-23(10-8-20)19-21-16-4-2-1-3-13(16)17(25)22-19/h6-11,16,32H,2-5,12-15,17H2,1H3;7-8,15H,3-6,9-14H2,1-2H3,(H,25,26,29);5-6,11,24H,1-4,7-10H2,(H,21,22,25)
• InChIKey: ZSKWQNKPYAYTAW-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 277.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.49
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?

The IUPAC name of 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 162207773) is 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?

The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is CN(C)CCOc1ccc2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.COc1ccc(COc2nc(N3CCC4(CC3)OC(=O)c3cc(O)ccc34)nc3c2CCCC3)cc1.O=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c2ccc(O)cc21.

What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?

The InChIKey is ZSKWQNKPYAYTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5.C24H30N4O4.C20H21N3O4/c1-34-20-9-6-18(7-10-20)17-35-25-21-4-2-3-5-24(21)29-27(30-25)31-14-12-28(13-15-31)23-11-8-19(32)16-22(23)26(33)36-28;1-27(2)13-14-31-16-7-8-19-18(15-16)22(30)32-24(19)9-11-28(12-10-24)23-25-20-6-4-3-5-17(20)21(29)26-23;24-12-5-6-15-14(11-12)18(26)27-20(15)7-9-23(10-8-20)19-21-16-4-2-1-3-13(16)17(25)22-19/h6-11,16,32H,2-5,12-15,17H2,1H3;7-8,15H,3-6,9-14H2,1-2H3,(H,25,26,29);5-6,11,24H,1-4,7-10H2,(H,21,22,25).

What are the key properties of 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?

6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 1293.49 g/mol, XLogP of 8.59, 11 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(dimethylamino)ethoxy]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one;6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 162207773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).