1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

C119H116Cl2F3N23O13 — CID 157251182

About 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 157251182) has the molecular formula C119H116Cl2F3N23O13 and a molecular weight of 2204.28 g/mol. Its IUPAC name is 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
• PubChem CID: 157251182
• Molecular Formula: C119H116Cl2F3N23O13
• Molecular Weight: 2204.28 g/mol
• Exact Mass: 2201.85
• IUPAC Name: 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
• SMILES: C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(CO)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc5cnn(C)c45)ncnc3cc2OC)C1.C=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccccc4)ncnc3cc2OC)C1
• InChI: InChI=1S/C25H22ClN5O3.C25H25F3N4O2.C24H24N6O2.C23H23ClN4O3.C22H22N4O3/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)32-11-9-19(10-12-32)34-23-13-20-21(14-22(23)33-3)29-15-30-24(20)31-18-7-5-17(6-8-18)25(26,27)28;1-5-15(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;1-3-21(27)26-10-9-16(13-26)29-20-11-17-18(12-19(20)28-2)23-14-24-22(17)25-15-7-5-4-6-8-15/h4-10,13-14,17H,1-2,11-12H2,3H3,(H,28,29,30);4-8,13-15,19H,1-2,9-12H2,3H3,(H,29,30,31);5-11,14,17H,1-2,12-13H2,3-4H3,(H,25,26,28);4-9,13,17,29H,1-2,10-12H2,3H3,(H,25,26,27);3-8,11-12,14,16H,1,9-10,13H2,2H3,(H,23,24,25)
• InChIKey: AWJCXVMZGMIVAD-UHFFFAOYSA-N
• XLogP: 23.27
• TPSA: 378.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.28
LogP ≤ 5	23.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?

The IUPAC name of 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 157251182) is 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.

What is the SMILES notation for 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?

The canonical SMILES for 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(CO)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4cccc5cnn(C)c45)ncnc3cc2OC)C1.C=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccccc4)ncnc3cc2OC)C1.

What is the InChIKey of 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?

The InChIKey is AWJCXVMZGMIVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3.C25H25F3N4O2.C24H24N6O2.C23H23ClN4O3.C22H22N4O3/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)32-11-9-19(10-12-32)34-23-13-20-21(14-22(23)33-3)29-15-30-24(20)31-18-7-5-17(6-8-18)25(26,27)28;1-5-15(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;1-3-21(27)26-10-9-16(13-26)29-20-11-17-18(12-19(20)28-2)23-14-24-22(17)25-15-7-5-4-6-8-15/h4-10,13-14,17H,1-2,11-12H2,3H3,(H,28,29,30);4-8,13-15,19H,1-2,9-12H2,3H3,(H,29,30,31);5-11,14,17H,1-2,12-13H2,3-4H3,(H,25,26,28);4-9,13,17,29H,1-2,10-12H2,3H3,(H,25,26,27);3-8,11-12,14,16H,1,9-10,13H2,2H3,(H,23,24,25).

What are the key properties of 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?

1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 2204.28 g/mol, XLogP of 23.27, 36 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-anilino-7-methoxyquinazolin-6-yl)oxypyrrolidin-1-yl]prop-2-en-1-one;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-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;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-7-methoxy-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 157251182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).