6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide

C47H56N6O8 — CID 154672303

About 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide

6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide (PubChem CID 154672303) has the molecular formula C47H56N6O8 and a molecular weight of 833.00 g/mol. Its IUPAC name is 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide
• PubChem CID: 154672303
• Molecular Formula: C47H56N6O8
• Molecular Weight: 833.00 g/mol
• Exact Mass: 832.42
• IUPAC Name: 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide
• SMILES: COc1cc(C2=CN(C)C(=O)C3C=NC=CC23)cc(OC)c1CC1CC2(C1)CC(C(=O)NCCCCCCCCNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C47H56N6O8/c1-52-27-35(31-15-18-48-26-34(31)44(52)57)29-20-38(60-2)33(39(21-29)61-3)19-28-22-47(23-28)24-30(25-47)42(55)50-17-9-7-5-4-6-8-16-49-36-12-10-11-32-41(36)46(59)53(45(32)58)37-13-14-40(54)51-43(37)56/h10-12,15,18,20-21,26-28,30-31,34,37,49H,4-9,13-14,16-17,19,22-25H2,1-3H3,(H,50,55)(H,51,54,56)
• InChIKey: JCRDORQQBFEPLS-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 175.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.00
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide?

The IUPAC name of 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide (CID 154672303) is 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide.

What is the SMILES notation for 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide?

The canonical SMILES for 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide is COc1cc(C2=CN(C)C(=O)C3C=NC=CC23)cc(OC)c1CC1CC2(C1)CC(C(=O)NCCCCCCCCNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide?

The InChIKey is JCRDORQQBFEPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56N6O8/c1-52-27-35(31-15-18-48-26-34(31)44(52)57)29-20-38(60-2)33(39(21-29)61-3)19-28-22-47(23-28)24-30(25-47)42(55)50-17-9-7-5-4-6-8-16-49-36-12-10-11-32-41(36)46(59)53(45(32)58)37-13-14-40(54)51-43(37)56/h10-12,15,18,20-21,26-28,30-31,34,37,49H,4-9,13-14,16-17,19,22-25H2,1-3H3,(H,50,55)(H,51,54,56).

What are the key properties of 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide?

6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide has a molecular weight of 833.00 g/mol, XLogP of 5.67, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2,6-dimethoxy-4-(2-methyl-1-oxo-4a,8a-dihydro-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]spiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 154672303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).