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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one

C115H110Cl5F3N20O14 — CID 160541912

IUPAC6-(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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=C)N1CC(Oc2cc3c(Nc4ccc(OC(F)(F)F)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccccc4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C5CC5)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)C1
InChIInChI=1S/C25H26N4O3.C23H22Cl2N4O3.C23H20ClF3N4O3.C22H20Cl2N4O3.C22H22N4O2/c1-3-24(30)29-10-9-19(14-29)32-23-12-20-21(13-22(23)31-2)26-15-27-25(20)28-18-6-4-5-17(11-18)16-7-8-16;1-3-22(30)29-8-4-5-15(12-29)32-21-10-16-19(11-20(21)31-2)26-13-27-23(16)28-18-7-6-14(24)9-17(18)25;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;1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-17-5-4-13(23)8-16(17)24;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/h3-6,11-13,15-16,19H,1,7-10,14H2,2H3,(H,26,27,28);3,6-7,9-11,13,15H,1,4-5,8,12H2,2H3,(H,26,27,28);4-9,12,15H,1-2,10-11H2,3H3,(H,28,29,30);3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27);4-11,14,17H,1-2,12-13H2,3H3,(H,23,24,25)
InChIKeyQWWYMZJZRHJZGJ-UHFFFAOYSA-N
MW2230.53 g/mol
LogP24.37
Rot. Bonds34

About 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one

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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 160541912) has the molecular formula C115H110Cl5F3N20O14 and a molecular weight of 2230.53 g/mol. Its IUPAC name is 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name6-(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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
PubChem CID160541912
Molecular FormulaC115H110Cl5F3N20O14
Molecular Weight2230.53 g/mol
Exact Mass2226.69
IUPAC Name6-(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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=C)N1CC(Oc2cc3c(Nc4ccc(OC(F)(F)F)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccccc4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C5CC5)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)C1
InChIInChI=1S/C25H26N4O3.C23H22Cl2N4O3.C23H20ClF3N4O3.C22H20Cl2N4O3.C22H22N4O2/c1-3-24(30)29-10-9-19(14-29)32-23-12-20-21(13-22(23)31-2)26-15-27-25(20)28-18-6-4-5-17(11-18)16-7-8-16;1-3-22(30)29-8-4-5-15(12-29)32-21-10-16-19(11-20(21)31-2)26-13-27-23(16)28-18-7-6-14(24)9-17(18)25;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;1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-17-5-4-13(23)8-16(17)24;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/h3-6,11-13,15-16,19H,1,7-10,14H2,2H3,(H,26,27,28);3,6-7,9-11,13,15H,1,4-5,8,12H2,2H3,(H,26,27,28);4-9,12,15H,1-2,10-11H2,3H3,(H,28,29,30);3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27);4-11,14,17H,1-2,12-13H2,3H3,(H,23,24,25)
InChIKeyQWWYMZJZRHJZGJ-UHFFFAOYSA-N
XLogP24.37
TPSA357.99 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002230.53
LogP ≤ 524.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one (CID 160541912) is 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one is C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(OC(F)(F)F)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccccc4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C5CC5)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCCC(Oc2cc3c(Nc4ccc(Cl)cc4Cl)ncnc3cc2OC)C1.
What is the InChIKey of 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is QWWYMZJZRHJZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3.C23H22Cl2N4O3.C23H20ClF3N4O3.C22H20Cl2N4O3.C22H22N4O2/c1-3-24(30)29-10-9-19(14-29)32-23-12-20-21(13-22(23)31-2)26-15-27-25(20)28-18-6-4-5-17(11-18)16-7-8-16;1-3-22(30)29-8-4-5-15(12-29)32-21-10-16-19(11-20(21)31-2)26-13-27-23(16)28-18-7-6-14(24)9-17(18)25;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;1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-17-5-4-13(23)8-16(17)24;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/h3-6,11-13,15-16,19H,1,7-10,14H2,2H3,(H,26,27,28);3,6-7,9-11,13,15H,1,4-5,8,12H2,2H3,(H,26,27,28);4-9,12,15H,1-2,10-11H2,3H3,(H,28,29,30);3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27);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-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methoxyquinazolin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?
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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 2230.53 g/mol, XLogP of 24.37, 34 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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-7-methoxy-N-phenylquinazolin-4-amine;1-[3-[4-(3-cyclopropylanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[4-(2,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 160541912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).