ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate

C33H40N6O6 — CID 168976930

About ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate

ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate (PubChem CID 168976930) has the molecular formula C33H40N6O6 and a molecular weight of 616.72 g/mol. Its IUPAC name is ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate
• PubChem CID: 168976930
• Molecular Formula: C33H40N6O6
• Molecular Weight: 616.72 g/mol
• Exact Mass: 616.30
• IUPAC Name: ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate
• SMILES: CCOC(=O)c1nc(-c2cc3cn(C)nc3c(C)c2OCOC)nc2ccc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)cc12
• InChI: InChI=1S/C33H40N6O6/c1-8-43-30(40)27-23-16-22(38-13-14-39(33(18-38)11-12-33)31(41)45-32(3,4)5)9-10-25(23)34-29(35-27)24-15-21-17-37(6)36-26(21)20(2)28(24)44-19-42-7/h9-10,15-17H,8,11-14,18-19H2,1-7H3
• InChIKey: QEBQQCBGMLUYGO-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 121.14 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	616.72
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate?

The IUPAC name of ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate (CID 168976930) is ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate.

What is the SMILES notation for ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate?

The canonical SMILES for ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate is CCOC(=O)c1nc(-c2cc3cn(C)nc3c(C)c2OCOC)nc2ccc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)cc12.

What is the InChIKey of ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate?

The InChIKey is QEBQQCBGMLUYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O6/c1-8-43-30(40)27-23-16-22(38-13-14-39(33(18-38)11-12-33)31(41)45-32(3,4)5)9-10-25(23)34-29(35-27)24-15-21-17-37(6)36-26(21)20(2)28(24)44-19-42-7/h9-10,15-17H,8,11-14,18-19H2,1-7H3.

What are the key properties of ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate?

ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate has a molecular weight of 616.72 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate is sourced from PubChem (CID 168976930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).