N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane

C128H132BrClN24O12 — CID 161035690

About N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane

N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane (PubChem CID 161035690) has the molecular formula C128H132BrClN24O12 and a molecular weight of 2313.98 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane.

Molecular Properties

• Compound Name: N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane
• PubChem CID: 161035690
• Molecular Formula: C128H132BrClN24O12
• Molecular Weight: 2313.98 g/mol
• Exact Mass: 2310.93
• IUPAC Name: N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane
• SMILES: C.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Br)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CCC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)CC1.C=CC(=C)N1CCC(Oc2cc3c(Nc4cccc(C5CC5)c4)ncnc3cc2OC)CC1.C=CC(=C)N1CCC(Oc2cc3c(Nc4cccc5cnn(C)c45)ncnc3cc2OC)CC1
• InChI: InChI=1S/C27H27N5O3.C27H30N4O2.C26H28N6O2.C25H23N5O3.C22H20BrClN4O2.CH4/c1-4-18(2)32-10-8-21(9-11-32)35-25-13-22-23(14-24(25)33-3)29-16-30-27(22)31-20-7-5-6-19(12-20)26-15-28-17-34-26;1-4-18(2)31-12-10-22(11-13-31)33-26-15-23-24(16-25(26)32-3)28-17-29-27(23)30-21-7-5-6-20(14-21)19-8-9-19;1-5-17(2)32-11-9-19(10-12-32)34-24-13-20-22(14-23(24)33-4)27-16-28-26(20)30-21-8-6-7-18-15-29-31(3)25(18)21;1-4-16(2)30-12-19(13-30)33-23-9-20-21(10-22(23)31-3)27-14-28-25(20)29-18-7-5-6-17(8-18)24-11-26-15-32-24;1-4-13(2)28-10-15(11-28)30-21-8-16-19(9-20(21)29-3)25-12-26-22(16)27-14-5-6-17(23)18(24)7-14;/h4-7,12-17,21H,1-2,8-11H2,3H3,(H,29,30,31);4-7,14-17,19,22H,1-2,8-13H2,3H3,(H,28,29,30);5-8,13-16,19H,1-2,9-12H2,3-4H3,(H,27,28,30);4-11,14-15,19H,1-2,12-13H2,3H3,(H,27,28,29);4-9,12,15H,1-2,10-11H2,3H3,(H,25,26,27);1H4
• InChIKey: UAFKKWOKYZXOML-UHFFFAOYSA-N
• XLogP: 27.19
• TPSA: 367.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 38
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.98
LogP ≤ 5	27.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane?

The IUPAC name of N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane (CID 161035690) is N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane.

What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane?

The canonical SMILES for N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane is C.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Br)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CCC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)CC1.C=CC(=C)N1CCC(Oc2cc3c(Nc4cccc(C5CC5)c4)ncnc3cc2OC)CC1.C=CC(=C)N1CCC(Oc2cc3c(Nc4cccc5cnn(C)c45)ncnc3cc2OC)CC1.

What is the InChIKey of N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane?

The InChIKey is UAFKKWOKYZXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3.C27H30N4O2.C26H28N6O2.C25H23N5O3.C22H20BrClN4O2.CH4/c1-4-18(2)32-10-8-21(9-11-32)35-25-13-22-23(14-24(25)33-3)29-16-30-27(22)31-20-7-5-6-19(12-20)26-15-28-17-34-26;1-4-18(2)31-12-10-22(11-13-31)33-26-15-23-24(16-25(26)32-3)28-17-29-27(23)30-21-7-5-6-20(14-21)19-8-9-19;1-5-17(2)32-11-9-19(10-12-32)34-24-13-20-22(14-23(24)33-4)27-16-28-26(20)30-21-8-6-7-18-15-29-31(3)25(18)21;1-4-16(2)30-12-19(13-30)33-23-9-20-21(10-22(23)31-3)27-14-28-25(20)29-18-7-5-6-17(8-18)24-11-26-15-32-24;1-4-13(2)28-10-15(11-28)30-21-8-16-19(9-20(21)29-3)25-12-26-22(16)27-14-5-6-17(23)18(24)7-14;/h4-7,12-17,21H,1-2,8-11H2,3H3,(H,29,30,31);4-7,14-17,19,22H,1-2,8-13H2,3H3,(H,28,29,30);5-8,13-16,19H,1-2,9-12H2,3-4H3,(H,27,28,30);4-11,14-15,19H,1-2,12-13H2,3H3,(H,27,28,29);4-9,12,15H,1-2,10-11H2,3H3,(H,25,26,27);1H4.

What are the key properties of N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane?

N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane has a molecular weight of 2313.98 g/mol, XLogP of 27.19, 38 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3-cyclopropylphenyl)-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]quinazolin-4-amine;methane is sourced from PubChem (CID 161035690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).