1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane

C129H152BBr3Cl6F8N26O8 — CID 157278823

About 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane

1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane (PubChem CID 157278823) has the molecular formula C129H152BBr3Cl6F8N26O8 and a molecular weight of 2810.03 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane.

Molecular Properties

• Compound Name: 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane
• PubChem CID: 157278823
• Molecular Formula: C129H152BBr3Cl6F8N26O8
• Molecular Weight: 2810.03 g/mol
• Exact Mass: 2802.79
• IUPAC Name: 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane
• SMILES: BrB(Br)Br.C1CC1N1CCN(C2CNC2)CC1.C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(N3CC(N4CCN(C5CC5)CC4)C3)nc3c(F)c(-c4c(F)cccc4OC)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC(N4CCN(C5CC5)CC4)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.CC(C)O.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(Cl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(N3CC(N4CCN(C5CC5)CC4)C3)nc2c1F
• InChI: InChI=1S/C32H36ClF2N7O2.C31H34ClF2N7O2.C30H35ClF2N6O.C20H17Cl2F2N3O.C10H19N3.C3H3ClO.C3H8O.BBr3/c1-3-26(43)40-13-15-41(16-14-40)31-22-17-23(33)27(28-24(34)5-4-6-25(28)44-2)29(35)30(22)36-32(37-31)42-18-21(19-42)39-11-9-38(10-12-39)20-7-8-20;1-2-25(43)39-12-14-40(15-13-39)30-21-16-22(32)26(27-23(33)4-3-5-24(27)42)28(34)29(21)35-31(36-30)41-17-20(18-41)38-10-8-37(9-11-38)19-6-7-19;1-40-24-7-5-6-23(32)26(24)25-22(31)16-21-28(27(25)33)34-30(35-29(21)38-10-3-2-4-11-38)39-17-20(18-39)37-14-12-36(13-15-37)19-8-9-19;1-28-14-7-5-6-13(23)16(14)15-12(21)10-11-18(17(15)24)25-20(22)26-19(11)27-8-3-2-4-9-27;1-2-9(1)12-3-5-13(6-4-12)10-7-11-8-10;1-2-3(4)5;1-3(2)4;2-1(3)4/h3-6,17,20-21H,1,7-16,18-19H2,2H3;2-5,16,19-20,42H,1,6-15,17-18H2;5-7,16,19-20H,2-4,8-15,17-18H2,1H3;5-7,10H,2-4,8-9H2,1H3;9-11H,1-8H2;2H,1H2;3-4H,1-2H3
• InChIKey: AZKOUAFNGGVWQT-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 289.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2810.03
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane?

The IUPAC name of 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane (CID 157278823) is 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane.

What is the SMILES notation for 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane?

The canonical SMILES for 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane is BrB(Br)Br.C1CC1N1CCN(C2CNC2)CC1.C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(N3CC(N4CCN(C5CC5)CC4)C3)nc3c(F)c(-c4c(F)cccc4OC)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC(N4CCN(C5CC5)CC4)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.CC(C)O.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(Cl)nc2c1F.COc1cccc(F)c1-c1c(Cl)cc2c(N3CCCCC3)nc(N3CC(N4CCN(C5CC5)CC4)C3)nc2c1F.

What is the InChIKey of 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane?

The InChIKey is AZKOUAFNGGVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClF2N7O2.C31H34ClF2N7O2.C30H35ClF2N6O.C20H17Cl2F2N3O.C10H19N3.C3H3ClO.C3H8O.BBr3/c1-3-26(43)40-13-15-41(16-14-40)31-22-17-23(33)27(28-24(34)5-4-6-25(28)44-2)29(35)30(22)36-32(37-31)42-18-21(19-42)39-11-9-38(10-12-39)20-7-8-20;1-2-25(43)39-12-14-40(15-13-39)30-21-16-22(32)26(27-23(33)4-3-5-24(27)42)28(34)29(21)35-31(36-30)41-17-20(18-41)38-10-8-37(9-11-38)19-6-7-19;1-40-24-7-5-6-23(32)26(24)25-22(31)16-21-28(27(25)33)34-30(35-29(21)38-10-3-2-4-11-38)39-17-20(18-39)37-14-12-36(13-15-37)19-8-9-19;1-28-14-7-5-6-13(23)16(14)15-12(21)10-11-18(17(15)24)25-20(22)26-19(11)27-8-3-2-4-9-27;1-2-9(1)12-3-5-13(6-4-12)10-7-11-8-10;1-2-3(4)5;1-3(2)4;2-1(3)4/h3-6,17,20-21H,1,7-16,18-19H2,2H3;2-5,16,19-20,42H,1,6-15,17-18H2;5-7,16,19-20H,2-4,8-15,17-18H2,1H3;5-7,10H,2-4,8-9H2,1H3;9-11H,1-8H2;2H,1H2;3-4H,1-2H3;.

What are the key properties of 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane?

1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane has a molecular weight of 2810.03 g/mol, XLogP of 22.07, 25 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-3-yl)-4-cyclopropylpiperazine;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;1-[4-[6-chloro-2-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2,6-dichloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-ylquinazoline;propan-2-ol;prop-2-enoyl chloride;tribromoborane is sourced from PubChem (CID 157278823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).