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-N-(3,4-dichlorophenyl)-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

C129H132Cl2N24O12 — CID 161117421

About 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-N-(3,4-dichlorophenyl)-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

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-N-(3,4-dichlorophenyl)-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 (PubChem CID 161117421) has the molecular formula C129H132Cl2N24O12 and a molecular weight of 2281.54 g/mol. Its IUPAC name is 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-N-(3,4-dichlorophenyl)-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.

Molecular Properties

• Compound Name: 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-N-(3,4-dichlorophenyl)-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
• PubChem CID: 161117421
• Molecular Formula: C129H132Cl2N24O12
• Molecular Weight: 2281.54 g/mol
• Exact Mass: 2278.98
• IUPAC Name: 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-N-(3,4-dichlorophenyl)-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
• SMILES: C=CC(=C)N1CC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc2OC)CC1.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.C24H24Cl2N4O2/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;1-4-15(2)30-9-7-17(8-10-30)32-23-12-18-21(13-22(23)31-3)27-14-28-24(18)29-16-5-6-19(25)20(26)11-16/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);4-6,11-14,17H,1-2,7-10H2,3H3,(H,27,28,29)
• InChIKey: UKMQDBFTFFQVEZ-UHFFFAOYSA-N
• XLogP: 27.23
• TPSA: 367.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 38
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2281.54
LogP ≤ 5	27.23
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 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-N-(3,4-dichlorophenyl)-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?

The IUPAC name of 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-N-(3,4-dichlorophenyl)-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 (CID 161117421) is 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-N-(3,4-dichlorophenyl)-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.

What is the SMILES notation for 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-N-(3,4-dichlorophenyl)-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?

The canonical SMILES for 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-N-(3,4-dichlorophenyl)-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 is C=CC(=C)N1CC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc2OC)CC1.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 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-N-(3,4-dichlorophenyl)-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?

The InChIKey is UKMQDBFTFFQVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3.C27H30N4O2.C26H28N6O2.C25H23N5O3.C24H24Cl2N4O2/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;1-4-15(2)30-9-7-17(8-10-30)32-23-12-18-21(13-22(23)31-3)27-14-28-24(18)29-16-5-6-19(25)20(26)11-16/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);4-6,11-14,17H,1-2,7-10H2,3H3,(H,27,28,29).

What are the key properties of 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-N-(3,4-dichlorophenyl)-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?

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-N-(3,4-dichlorophenyl)-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 has a molecular weight of 2281.54 g/mol, XLogP of 27.23, 38 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 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-N-(3,4-dichlorophenyl)-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 is sourced from PubChem (CID 161117421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).