3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C142H146Cl7F5N30O19 — CID 159061062

About 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 159061062) has the molecular formula C142H146Cl7F5N30O19 and a molecular weight of 2920.08 g/mol. Its IUPAC name is 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 159061062
• Molecular Formula: C142H146Cl7F5N30O19
• Molecular Weight: 2920.08 g/mol
• Exact Mass: 2914.91
• IUPAC Name: 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CC2(CCN(C)CC2)OC1=O.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C(C)C)CC2)OC1=O.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)COC1=O.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O.COc1cc2ncnc(Nc3cccc(Cl)c3OC)c2cc1N1CC2(CCN(C)CC2)OC1=O
• InChI: InChI=1S/C25H27ClFN5O3.C24H25ClFN5O3.C24H26ClN5O4.C23H22Cl2FN5O3.2C23H23ClFN5O3/c1-15(2)31-9-7-25(8-10-31)13-32(24(33)35-25)20-11-16-19(12-21(20)34-3)28-14-29-23(16)30-18-6-4-5-17(26)22(18)27;1-30-8-6-24(7-9-30)12-31(23(32)34-13-24)19-10-15-18(11-20(19)33-2)27-14-28-22(15)29-17-5-3-4-16(25)21(17)26;1-29-9-7-24(8-10-29)13-30(23(31)34-24)19-11-15-18(12-20(19)32-2)26-14-27-22(15)28-17-6-4-5-16(25)21(17)33-3;1-30-7-5-23(6-8-30)11-31(22(32)34-23)17-9-13-16(10-18(17)33-2)27-12-28-21(13)29-15-4-3-14(24)19(25)20(15)26;1-29-7-5-23(6-8-29)12-30(22(31)33-23)19-10-15-18(11-20(19)32-2)26-13-27-21(15)28-14-3-4-17(25)16(24)9-14;1-29-8-6-23(7-9-29)12-30(22(31)33-23)18-10-14-17(11-19(18)32-2)26-13-27-21(14)28-16-5-3-4-15(24)20(16)25/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,28,29,30);3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,27,28,29);4-6,11-12,14H,7-10,13H2,1-3H3,(H,26,27,28);3-4,9-10,12H,5-8,11H2,1-2H3,(H,27,28,29);3-4,9-11,13H,5-8,12H2,1-2H3,(H,26,27,28);3-5,10-11,13H,6-9,12H2,1-2H3,(H,26,27,28)
• InChIKey: JYLZRGGUMHDHCC-UHFFFAOYSA-N
• XLogP: 29.12
• TPSA: 488.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 26
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2920.08
LogP ≤ 5	29.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 159061062) is 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CC2(CCN(C)CC2)OC1=O.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C(C)C)CC2)OC1=O.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)COC1=O.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CC2(CCN(C)CC2)OC1=O.COc1cc2ncnc(Nc3cccc(Cl)c3OC)c2cc1N1CC2(CCN(C)CC2)OC1=O.

What is the InChIKey of 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is JYLZRGGUMHDHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN5O3.C24H25ClFN5O3.C24H26ClN5O4.C23H22Cl2FN5O3.2C23H23ClFN5O3/c1-15(2)31-9-7-25(8-10-31)13-32(24(33)35-25)20-11-16-19(12-21(20)34-3)28-14-29-23(16)30-18-6-4-5-17(26)22(18)27;1-30-8-6-24(7-9-30)12-31(23(32)34-13-24)19-10-15-18(11-20(19)33-2)27-14-28-22(15)29-17-5-3-4-16(25)21(17)26;1-29-9-7-24(8-10-29)13-30(23(31)34-24)19-11-15-18(12-20(19)32-2)26-14-27-22(15)28-17-6-4-5-16(25)21(17)33-3;1-30-7-5-23(6-8-30)11-31(22(32)34-23)17-9-13-16(10-18(17)33-2)27-12-28-21(13)29-15-4-3-14(24)19(25)20(15)26;1-29-7-5-23(6-8-29)12-30(22(31)33-23)19-10-15-18(11-20(19)32-2)26-13-27-21(15)28-14-3-4-17(25)16(24)9-14;1-29-8-6-23(7-9-29)12-30(22(31)33-23)18-10-14-17(11-19(18)32-2)26-13-27-21(14)28-16-5-3-4-15(24)20(16)25/h4-6,11-12,14-15H,7-10,13H2,1-3H3,(H,28,29,30);3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,27,28,29);4-6,11-12,14H,7-10,13H2,1-3H3,(H,26,27,28);3-4,9-10,12H,5-8,11H2,1-2H3,(H,27,28,29);3-4,9-11,13H,5-8,12H2,1-2H3,(H,26,27,28);3-5,10-11,13H,6-9,12H2,1-2H3,(H,26,27,28).

What are the key properties of 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 2920.08 g/mol, XLogP of 29.12, 26 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one;3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3-chloro-2-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159061062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).