6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

C118H111Cl2F6N21O12 — CID 159583550

About 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 159583550) has the molecular formula C118H111Cl2F6N21O12 and a molecular weight of 2200.21 g/mol. Its IUPAC name is 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
• PubChem CID: 159583550
• Molecular Formula: C118H111Cl2F6N21O12
• Molecular Weight: 2200.21 g/mol
• Exact Mass: 2197.80
• IUPAC Name: 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
• SMILES: C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(OC(F)(F)F)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc(C5CC5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccccc4)ncnc3cc2OC)C1
• InChI: InChI=1S/C25H22ClN5O3.C25H26N4O2.C23H20ClF3N4O3.C23H21F3N4O2.C22H22N4O2/c1-4-15(2)31-11-17(12-31)34-23-8-19-21(9-22(23)32-3)28-13-29-25(19)30-16-5-6-20(26)18(7-16)24-10-27-14-33-24;1-4-16(2)29-13-20(14-29)31-24-11-21-22(12-23(24)30-3)26-15-27-25(21)28-19-7-5-6-18(10-19)17-8-9-17;1-4-13(2)31-10-15(11-31)33-21-8-16-18(9-20(21)32-3)28-12-29-22(16)30-14-5-6-19(17(24)7-14)34-23(25,26)27;1-4-14(2)30-11-17(12-30)32-21-9-18-19(10-20(21)31-3)27-13-28-22(18)29-16-7-5-15(6-8-16)23(24,25)26;1-4-15(2)26-12-17(13-26)28-21-10-18-19(11-20(21)27-3)23-14-24-22(18)25-16-8-6-5-7-9-16/h4-10,13-14,17H,1-2,11-12H2,3H3,(H,28,29,30);4-7,10-12,15,17,20H,1-2,8-9,13-14H2,3H3,(H,26,27,28);4-9,12,15H,1-2,10-11H2,3H3,(H,28,29,30);4-10,13,17H,1-2,11-12H2,3H3,(H,27,28,29);4-11,14,17H,1-2,12-13H2,3H3,(H,23,24,25)
• InChIKey: MJIAMCNMSMEFPT-UHFFFAOYSA-N
• XLogP: 25.48
• TPSA: 332.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 38
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.21
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?

The IUPAC name of 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 159583550) is 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.

What is the SMILES notation for 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?

The canonical SMILES for 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(OC(F)(F)F)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc(C5CC5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccccc4)ncnc3cc2OC)C1.

What is the InChIKey of 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?

The InChIKey is MJIAMCNMSMEFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3.C25H26N4O2.C23H20ClF3N4O3.C23H21F3N4O2.C22H22N4O2/c1-4-15(2)31-11-17(12-31)34-23-8-19-21(9-22(23)32-3)28-13-29-25(19)30-16-5-6-20(26)18(7-16)24-10-27-14-33-24;1-4-16(2)29-13-20(14-29)31-24-11-21-22(12-23(24)30-3)26-15-27-25(21)28-19-7-5-6-18(10-19)17-8-9-17;1-4-13(2)31-10-15(11-31)33-21-8-16-18(9-20(21)32-3)28-12-29-22(16)30-14-5-6-19(17(24)7-14)34-23(25,26)27;1-4-14(2)30-11-17(12-30)32-21-9-18-19(10-20(21)31-3)27-13-28-22(18)29-16-7-5-15(6-8-16)23(24,25)26;1-4-15(2)26-12-17(13-26)28-21-10-18-19(11-20(21)27-3)23-14-24-22(18)25-16-8-6-5-7-9-16/h4-10,13-14,17H,1-2,11-12H2,3H3,(H,28,29,30);4-7,10-12,15,17,20H,1-2,8-9,13-14H2,3H3,(H,26,27,28);4-9,12,15H,1-2,10-11H2,3H3,(H,28,29,30);4-10,13,17H,1-2,11-12H2,3H3,(H,27,28,29);4-11,14,17H,1-2,12-13H2,3H3,(H,23,24,25).

What are the key properties of 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?

6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 2200.21 g/mol, XLogP of 25.48, 38 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 159583550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).