6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol

C70H71ClN14O8 — CID 157158540

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

6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol (PubChem CID 157158540) has the molecular formula C70H71ClN14O8 and a molecular weight of 1271.88 g/mol. Its IUPAC name is 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol.

Molecular Properties

• Compound Name: 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol
• PubChem CID: 157158540
• Molecular Formula: C70H71ClN14O8
• Molecular Weight: 1271.88 g/mol
• Exact Mass: 1270.53
• IUPAC Name: 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol
• SMILES: C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(CO)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc(CO)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc5cnn(C)c45)ncnc3cc2OC)C1
• InChI: InChI=1S/C24H24N6O2.C23H23ClN4O3.C23H24N4O3/c1-5-15(2)30-12-17(13-30)32-22-9-18-20(10-21(22)31-4)25-14-26-24(18)28-19-8-6-7-16-11-27-29(3)23(16)19;1-4-14(2)28-10-17(11-28)31-22-8-18-20(9-21(22)30-3)25-13-26-23(18)27-16-5-6-19(24)15(7-16)12-29;1-4-15(2)27-11-18(12-27)30-22-9-19-20(10-21(22)29-3)24-14-25-23(19)26-17-7-5-6-16(8-17)13-28/h5-11,14,17H,1-2,12-13H2,3-4H3,(H,25,26,28);4-9,13,17,29H,1-2,10-12H2,3H3,(H,25,26,27);4-10,14,18,28H,1-2,11-13H2,3H3,(H,24,25,26)
• InChIKey: AMCGHGZBYRDUCH-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 236.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1271.88
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol?

The IUPAC name of 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol (CID 157158540) is 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol.

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

The canonical SMILES for 6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol is C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(CO)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc(CO)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc5cnn(C)c45)ncnc3cc2OC)C1.

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

The InChIKey is AMCGHGZBYRDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.C23H23ClN4O3.C23H24N4O3/c1-5-15(2)30-12-17(13-30)32-22-9-18-20(10-21(22)31-4)25-14-26-24(18)28-19-8-6-7-16-11-27-29(3)23(16)19;1-4-14(2)28-10-17(11-28)31-22-8-18-20(9-21(22)30-3)25-13-26-23(18)27-16-5-6-19(24)15(7-16)12-29;1-4-15(2)27-11-18(12-27)30-22-9-19-20(10-21(22)29-3)24-14-25-23(19)26-17-7-5-6-16(8-17)13-28/h5-11,14,17H,1-2,12-13H2,3-4H3,(H,25,26,28);4-9,13,17,29H,1-2,10-12H2,3H3,(H,25,26,27);4-10,14,18,28H,1-2,11-13H2,3H3,(H,24,25,26).

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

6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol has a molecular weight of 1271.88 g/mol, XLogP of 11.96, 23 rotatable bonds, 5 hydrogen bond donors, and 22 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-(1-methylindazol-7-yl)quinazolin-4-amine;[5-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]-2-chlorophenyl]methanol;[3-[[6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxyquinazolin-4-yl]amino]phenyl]methanol is sourced from PubChem (CID 157158540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).