8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid

C155H181B3Br3Cl2F3N18O31 — CID 161429538

About 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid

8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid (PubChem CID 161429538) has the molecular formula C155H181B3Br3Cl2F3N18O31 and a molecular weight of 3192.30 g/mol. Its IUPAC name is 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid
• PubChem CID: 161429538
• Molecular Formula: C155H181B3Br3Cl2F3N18O31
• Molecular Weight: 3192.30 g/mol
• Exact Mass: 3187.03
• IUPAC Name: 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid
• SMILES: C1COCCN1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cc(C(=O)N2CCOCC2)ccc1-c1cccc2cnc(Cl)nc12.COc1cc(C(=O)N2CCOCC2)ccc1-c1cccc2cnc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c4c3OCC4)nc12.COc1cc(C(=O)N2CCOCC2)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(C(=O)N2CCOCC2)ccc1B1OC(C)(C)C(C)(C)O1.COc1cc(C(=O)N2CCOCC2)ccc1Br.COc1cc(C(=O)O)ccc1Br.Clc1ncc2cccc(Br)c2n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C38H43N5O6.C33H35N5O4.C20H18ClN3O3.C18H26BNO5.C12H24B2O4.C12H14BrNO3.C8H4BrClN2.C8H7BrO3.C4H9NO.C2HF3O2/c1-38(2,3)49-37(45)43-15-12-24(13-16-43)27-10-11-31(34-30(27)14-19-48-34)40-36-39-23-26-6-5-7-29(33(26)41-36)28-9-8-25(22-32(28)46-4)35(44)42-17-20-47-21-18-42;1-40-29-19-22(32(39)38-14-17-41-18-15-38)5-6-25(29)26-4-2-3-23-20-35-33(37-30(23)26)36-28-8-7-24(21-9-12-34-13-10-21)27-11-16-42-31(27)28;1-26-17-11-13(19(25)24-7-9-27-10-8-24)5-6-15(17)16-4-2-3-14-12-22-20(21)23-18(14)16;1-17(2)18(3,4)25-19(24-17)14-7-6-13(12-15(14)22-5)16(21)20-8-10-23-11-9-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-16-11-8-9(2-3-10(11)13)12(15)14-4-6-17-7-5-14;9-6-3-1-2-5-4-11-8(10)12-7(5)6;1-12-7-4-5(8(10)11)2-3-6(7)9;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h5-11,22-24H,12-21H2,1-4H3,(H,39,40,41);2-8,19-21,34H,9-18H2,1H3,(H,35,36,37);2-6,11-12H,7-10H2,1H3;6-7,12H,8-11H2,1-5H3;1-8H3;2-3,8H,4-7H2,1H3;1-4H;2-4H,1H3,(H,10,11);5H,1-4H2;(H,6,7)
• InChIKey: GBENIQFMGGRUMG-UHFFFAOYSA-N
• XLogP: 26.01
• TPSA: 541.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 23
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3192.30
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid?

The IUPAC name of 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid (CID 161429538) is 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid?

The canonical SMILES for 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid is C1COCCN1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cc(C(=O)N2CCOCC2)ccc1-c1cccc2cnc(Cl)nc12.COc1cc(C(=O)N2CCOCC2)ccc1-c1cccc2cnc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c4c3OCC4)nc12.COc1cc(C(=O)N2CCOCC2)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(C(=O)N2CCOCC2)ccc1B1OC(C)(C)C(C)(C)O1.COc1cc(C(=O)N2CCOCC2)ccc1Br.COc1cc(C(=O)O)ccc1Br.Clc1ncc2cccc(Br)c2n1.O=C(O)C(F)(F)F.

What is the InChIKey of 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid?

The InChIKey is GBENIQFMGGRUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N5O6.C33H35N5O4.C20H18ClN3O3.C18H26BNO5.C12H24B2O4.C12H14BrNO3.C8H4BrClN2.C8H7BrO3.C4H9NO.C2HF3O2/c1-38(2,3)49-37(45)43-15-12-24(13-16-43)27-10-11-31(34-30(27)14-19-48-34)40-36-39-23-26-6-5-7-29(33(26)41-36)28-9-8-25(22-32(28)46-4)35(44)42-17-20-47-21-18-42;1-40-29-19-22(32(39)38-14-17-41-18-15-38)5-6-25(29)26-4-2-3-23-20-35-33(37-30(23)26)36-28-8-7-24(21-9-12-34-13-10-21)27-11-16-42-31(27)28;1-26-17-11-13(19(25)24-7-9-27-10-8-24)5-6-15(17)16-4-2-3-14-12-22-20(21)23-18(14)16;1-17(2)18(3,4)25-19(24-17)14-7-6-13(12-15(14)22-5)16(21)20-8-10-23-11-9-20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-16-11-8-9(2-3-10(11)13)12(15)14-4-6-17-7-5-14;9-6-3-1-2-5-4-11-8(10)12-7(5)6;1-12-7-4-5(8(10)11)2-3-6(7)9;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h5-11,22-24H,12-21H2,1-4H3,(H,39,40,41);2-8,19-21,34H,9-18H2,1H3,(H,35,36,37);2-6,11-12H,7-10H2,1H3;6-7,12H,8-11H2,1-5H3;1-8H3;2-3,8H,4-7H2,1H3;1-4H;2-4H,1H3,(H,10,11);5H,1-4H2;(H,6,7).

What are the key properties of 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid?

8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid has a molecular weight of 3192.30 g/mol, XLogP of 26.01, 23 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-chloroquinazoline;4-bromo-3-methoxybenzoic acid;(4-bromo-3-methoxyphenyl)-morpholin-4-ylmethanone;tert-butyl 4-[7-[[8-[2-methoxy-4-(morpholine-4-carbonyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;[4-(2-chloroquinazolin-8-yl)-3-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161429538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).