1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C143H135Cl5F11N29O12 — CID 160602308

About 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 160602308) has the molecular formula C143H135Cl5F11N29O12 and a molecular weight of 2838.09 g/mol. Its IUPAC name is 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 160602308
• Molecular Formula: C143H135Cl5F11N29O12
• Molecular Weight: 2838.09 g/mol
• Exact Mass: 2833.91
• IUPAC Name: 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2nc(NC3CCCN(C(C)C)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NC3CCCN(C4CC4)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCC(F)(F)c3ccccn3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCc3cccc(C)n3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCc3ccccn3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1
• InChI: InChI=1S/C30H25ClF3N7O2.C29H31ClF2N6O2.C29H33ClF2N6O2.C28H24ClF2N5O3.C27H22ClF2N5O3/c1-3-23(42)40-10-12-41(13-11-40)28-18-14-20(31)25(24-17(2)7-8-21-19(24)15-36-39-21)26(32)27(18)37-29(38-28)43-16-30(33,34)22-6-4-5-9-35-22;1-2-23(40)36-11-13-37(14-12-36)28-19-15-20(30)24(25-21(31)6-3-7-22(25)39)26(32)27(19)34-29(35-28)33-17-5-4-10-38(16-17)18-8-9-18;1-4-23(40)36-11-13-37(14-12-36)28-19-15-20(30)24(25-21(31)8-5-9-22(25)39)26(32)27(19)34-29(35-28)33-18-7-6-10-38(16-18)17(2)3;1-3-22(38)35-10-12-36(13-11-35)27-18-14-19(29)23(24-20(30)8-5-9-21(24)37)25(31)26(18)33-28(34-27)39-15-17-7-4-6-16(2)32-17;1-2-21(37)34-10-12-35(13-11-34)26-17-14-18(28)22(23-19(29)7-5-8-20(23)36)24(30)25(17)32-27(33-26)38-15-16-6-3-4-9-31-16/h3-9,14-15H,1,10-13,16H2,2H3,(H,36,39);2-3,6-7,15,17-18,39H,1,4-5,8-14,16H2,(H,33,34,35);4-5,8-9,15,17-18,39H,1,6-7,10-14,16H2,2-3H3,(H,33,34,35);3-9,14,37H,1,10-13,15H2,2H3;2-9,14,36H,1,10-13,15H2
• InChIKey: RELBNJIUDGTXHA-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 453.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2838.09
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 160602308) is 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(NC3CCCN(C(C)C)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NC3CCCN(C4CC4)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCC(F)(F)c3ccccn3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCc3cccc(C)n3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCc3ccccn3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.

What is the InChIKey of 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is RELBNJIUDGTXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClF3N7O2.C29H31ClF2N6O2.C29H33ClF2N6O2.C28H24ClF2N5O3.C27H22ClF2N5O3/c1-3-23(42)40-10-12-41(13-11-40)28-18-14-20(31)25(24-17(2)7-8-21-19(24)15-36-39-21)26(32)27(18)37-29(38-28)43-16-30(33,34)22-6-4-5-9-35-22;1-2-23(40)36-11-13-37(14-12-36)28-19-15-20(30)24(25-21(31)6-3-7-22(25)39)26(32)27(19)34-29(35-28)33-17-5-4-10-38(16-17)18-8-9-18;1-4-23(40)36-11-13-37(14-12-36)28-19-15-20(30)24(25-21(31)8-5-9-22(25)39)26(32)27(19)34-29(35-28)33-18-7-6-10-38(16-18)17(2)3;1-3-22(38)35-10-12-36(13-11-35)27-18-14-19(29)23(24-20(30)8-5-9-21(24)37)25(31)26(18)33-28(34-27)39-15-17-7-4-6-16(2)32-17;1-2-21(37)34-10-12-35(13-11-34)26-17-14-18(28)22(23-19(29)7-5-8-20(23)36)24(30)25(17)32-27(33-26)38-15-16-6-3-4-9-31-16/h3-9,14-15H,1,10-13,16H2,2H3,(H,36,39);2-3,6-7,15,17-18,39H,1,4-5,8-14,16H2,(H,33,34,35);4-5,8-9,15,17-18,39H,1,6-7,10-14,16H2,2-3H3,(H,33,34,35);3-9,14,37H,1,10-13,15H2,2H3;2-9,14,36H,1,10-13,15H2.

What are the key properties of 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2838.09 g/mol, XLogP of 25.33, 31 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-chloro-2-[(1-cyclopropylpiperidin-3-yl)amino]-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(2,2-difluoro-2-pyridin-2-ylethoxy)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)amino]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 160602308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).