7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one

C82H86FN11O14 — CID 162211662

About 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one

7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one (PubChem CID 162211662) has the molecular formula C82H86FN11O14 and a molecular weight of 1468.65 g/mol. Its IUPAC name is 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one.

Molecular Properties

• Compound Name: 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one
• PubChem CID: 162211662
• Molecular Formula: C82H86FN11O14
• Molecular Weight: 1468.65 g/mol
• Exact Mass: 1467.63
• IUPAC Name: 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one
• SMILES: COc1cc2c(Oc3ccc4c(c3F)C=C(C)C4)ncnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ncnc2cc1OCCC(=O)N1CC2(COC2)C1.COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ncnc2cc1OCCCC(=O)N1CC2(COC2)C1
• InChI: InChI=1S/C29H32FN3O4.C27H28N4O5.C26H26N4O5/c1-19-12-20-4-5-24(27(30)21(20)13-19)37-28-22-14-25(34-2)26(15-23(22)31-18-32-28)36-11-3-8-33-9-6-29(7-10-33)16-35-17-29;1-17-6-18-8-19(11-28-21(18)7-17)36-26-20-9-23(33-2)24(10-22(20)29-16-30-26)35-5-3-4-25(32)31-12-27(13-31)14-34-15-27;1-16-5-17-7-18(10-27-20(17)6-16)35-25-19-8-22(32-2)23(9-21(19)28-15-29-25)34-4-3-24(31)30-11-26(12-30)13-33-14-26/h4-5,13-15,18H,3,6-12,16-17H2,1-2H3;6,8-11,16H,3-5,7,12-15H2,1-2H3;5,7-10,15H,3-4,6,11-14H2,1-2H3
• InChIKey: ZSXPISVIJCHZOB-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 257.74 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1468.65
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one?

The IUPAC name of 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one (CID 162211662) is 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one.

What is the SMILES notation for 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one?

The canonical SMILES for 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one is COc1cc2c(Oc3ccc4c(c3F)C=C(C)C4)ncnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ncnc2cc1OCCC(=O)N1CC2(COC2)C1.COc1cc2c(Oc3cnc4c(c3)C=C(C)C4)ncnc2cc1OCCCC(=O)N1CC2(COC2)C1.

What is the InChIKey of 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one?

The InChIKey is ZSXPISVIJCHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O4.C27H28N4O5.C26H26N4O5/c1-19-12-20-4-5-24(27(30)21(20)13-19)37-28-22-14-25(34-2)26(15-23(22)31-18-32-28)36-11-3-8-33-9-6-29(7-10-33)16-35-17-29;1-17-6-18-8-19(11-28-21(18)7-17)36-26-20-9-23(33-2)24(10-22(20)29-16-30-26)35-5-3-4-25(32)31-12-27(13-31)14-34-15-27;1-16-5-17-7-18(10-27-20(17)6-16)35-25-19-8-22(32-2)23(9-21(19)28-15-29-25)34-4-3-24(31)30-11-26(12-30)13-33-14-26/h4-5,13-15,18H,3,6-12,16-17H2,1-2H3;6,8-11,16H,3-5,7,12-15H2,1-2H3;5,7-10,15H,3-4,6,11-14H2,1-2H3.

What are the key properties of 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one?

7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one has a molecular weight of 1468.65 g/mol, XLogP of 12.63, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-2-oxa-7-azaspiro[3.5]nonane;4-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[6-methoxy-4-[(6-methyl-7H-cyclopenta[b]pyridin-3-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one is sourced from PubChem (CID 162211662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).