6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline

C36H45N7O3 — CID 139520944

About 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline

6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline (PubChem CID 139520944) has the molecular formula C36H45N7O3 and a molecular weight of 623.80 g/mol. Its IUPAC name is 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline.

Molecular Properties

• Compound Name: 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline
• PubChem CID: 139520944
• Molecular Formula: C36H45N7O3
• Molecular Weight: 623.80 g/mol
• Exact Mass: 623.36
• IUPAC Name: 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline
• SMILES: CCOc1c(-c2c(C)ccc3[nH]ncc23)c(C2CC2)cc2c(N3CCC4(CC3)CNC4)nc(OC3CCN(C4COC4)CC3)nc12
• InChI: InChI=1S/C36H45N7O3/c1-3-45-33-31(30-22(2)4-7-29-28(30)17-38-41-29)26(23-5-6-23)16-27-32(33)39-35(46-25-8-12-42(13-9-25)24-18-44-19-24)40-34(27)43-14-10-36(11-15-43)20-37-21-36/h4,7,16-17,23-25,37H,3,5-6,8-15,18-21H2,1-2H3,(H,38,41)
• InChIKey: HSJFMXHWHGMGEP-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 100.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.80
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline?

The IUPAC name of 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline (CID 139520944) is 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline.

What is the SMILES notation for 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline?

The canonical SMILES for 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline is CCOc1c(-c2c(C)ccc3[nH]ncc23)c(C2CC2)cc2c(N3CCC4(CC3)CNC4)nc(OC3CCN(C4COC4)CC3)nc12.

What is the InChIKey of 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline?

The InChIKey is HSJFMXHWHGMGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N7O3/c1-3-45-33-31(30-22(2)4-7-29-28(30)17-38-41-29)26(23-5-6-23)16-27-32(33)39-35(46-25-8-12-42(13-9-25)24-18-44-19-24)40-34(27)43-14-10-36(11-15-43)20-37-21-36/h4,7,16-17,23-25,37H,3,5-6,8-15,18-21H2,1-2H3,(H,38,41).

What are the key properties of 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline?

6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline has a molecular weight of 623.80 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-4-(2,7-diazaspiro[3.5]nonan-7-yl)-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-[1-(oxetan-3-yl)piperidin-4-yl]oxyquinazoline is sourced from PubChem (CID 139520944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).