1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one

C118H107Cl5F4N22O17 — CID 158813133

About 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one

1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 158813133) has the molecular formula C118H107Cl5F4N22O17 and a molecular weight of 2358.55 g/mol. Its IUPAC name is 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
• PubChem CID: 158813133
• Molecular Formula: C118H107Cl5F4N22O17
• Molecular Weight: 2358.55 g/mol
• Exact Mass: 2354.66
• IUPAC Name: 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)C1
• InChI: InChI=1S/C25H22ClN5O4.C25H23N5O4.C23H21Cl2FN4O3.C23H21F3N4O3.C22H20Cl2N4O3/c1-3-24(32)31-7-6-16(12-31)35-22-9-18-20(10-21(22)33-2)28-13-29-25(18)30-15-4-5-19(26)17(8-15)23-11-27-14-34-23;1-3-24(31)30-8-7-18(13-30)34-22-10-19-20(11-21(22)32-2)27-14-28-25(19)29-17-6-4-5-16(9-17)23-12-26-15-33-23;1-3-20(31)30-8-4-5-13(11-30)33-19-9-14-17(10-18(19)32-2)27-12-28-23(14)29-16-7-6-15(24)21(25)22(16)26;1-3-21(31)30-9-8-16(12-30)33-20-10-17-18(11-19(20)32-2)27-13-28-22(17)29-15-6-4-14(5-7-15)23(24,25)26;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)27-13-4-5-16(23)17(24)8-13/h3-5,8-11,13-14,16H,1,6-7,12H2,2H3,(H,28,29,30);3-6,9-12,14-15,18H,1,7-8,13H2,2H3,(H,27,28,29);3,6-7,9-10,12-13H,1,4-5,8,11H2,2H3,(H,27,28,29);3-7,10-11,13,16H,1,8-9,12H2,2H3,(H,27,28,29);3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27)
• InChIKey: IUXYJTPIDVGQMH-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 434.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.55
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one (CID 158813133) is 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(C(F)(F)F)cc4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(-c5cnco5)c4)ncnc3cc2OC)C1.C=CC(=O)N1CCCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)C1.

What is the InChIKey of 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?

The InChIKey is IUXYJTPIDVGQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4.C25H23N5O4.C23H21Cl2FN4O3.C23H21F3N4O3.C22H20Cl2N4O3/c1-3-24(32)31-7-6-16(12-31)35-22-9-18-20(10-21(22)33-2)28-13-29-25(18)30-15-4-5-19(26)17(8-15)23-11-27-14-34-23;1-3-24(31)30-8-7-18(13-30)34-22-10-19-20(11-21(22)32-2)27-14-28-25(19)29-17-6-4-5-16(9-17)23-12-26-15-33-23;1-3-20(31)30-8-4-5-13(11-30)33-19-9-14-17(10-18(19)32-2)27-12-28-23(14)29-16-7-6-15(24)21(25)22(16)26;1-3-21(31)30-9-8-16(12-30)33-20-10-17-18(11-19(20)32-2)27-13-28-22(17)29-15-6-4-14(5-7-15)23(24,25)26;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)27-13-4-5-16(23)17(24)8-13/h3-5,8-11,13-14,16H,1,6-7,12H2,2H3,(H,28,29,30);3-6,9-12,14-15,18H,1,7-8,13H2,2H3,(H,27,28,29);3,6-7,9-10,12-13H,1,4-5,8,11H2,2H3,(H,27,28,29);3-7,10-11,13,16H,1,8-9,12H2,2H3,(H,27,28,29);3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27).

What are the key properties of 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?

1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 2358.55 g/mol, XLogP of 23.86, 32 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[4-chloro-3-(1,3-oxazol-5-yl)anilino]-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[3-(1,3-oxazol-5-yl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one;1-[3-[7-methoxy-4-[4-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158813133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).