1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C121H108Cl5F8N27O6 — CID 157439999

About 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 157439999) has the molecular formula C121H108Cl5F8N27O6 and a molecular weight of 2365.63 g/mol. Its IUPAC name is 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 157439999
• Molecular Formula: C121H108Cl5F8N27O6
• Molecular Weight: 2365.63 g/mol
• Exact Mass: 2361.73
• IUPAC Name: 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2nc(C3=CC=CC3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NC)nc3cc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4cc(C(F)F)ccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(OC)c(-c4ccc(F)cc4F)c(Cl)cc23)CC1.CC/C=C/C(=O)N1CCN(c2ncnc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1
• InChI: InChI=1S/C28H24ClFN6O.C25H24ClFN6O.C24H24ClN7O.C22H17ClF4N4O.C22H19ClF2N4O2/c1-3-22(37)35-10-12-36(13-11-35)28-18-14-20(29)24(23-16(2)8-9-21-19(23)15-31-34-21)25(30)26(18)32-27(33-28)17-6-4-5-7-17;1-3-4-5-20(34)32-8-10-33(11-9-32)25-16-12-18(26)22(23(27)24(16)28-14-29-25)21-15(2)6-7-19-17(21)13-30-31-19;1-4-21(33)31-7-9-32(10-8-31)23-16-11-18(25)15(12-20(16)28-24(26-3)29-23)22-14(2)5-6-19-17(22)13-27-30-19;1-2-17(32)30-5-7-31(8-6-30)22-14-10-15(23)18(19(25)20(14)28-11-29-22)13-9-12(21(26)27)3-4-16(13)24;1-3-18(30)28-6-8-29(9-7-28)22-15-11-16(23)19(14-5-4-13(24)10-17(14)25)21(31-2)20(15)26-12-27-22/h3-6,8-9,14-15H,1,7,10-13H2,2H3,(H,31,34);4-7,12-14H,3,8-11H2,1-2H3,(H,30,31);4-6,11-13H,1,7-10H2,2-3H3,(H,27,30)(H,26,28,29);2-4,9-11,21H,1,5-8H2;3-5,10-12H,1,6-9H2,2H3/b;5-4+
• InChIKey: BROCVBJVECLKGD-DBONNTBUSA-N
• XLogP: 23.42
• TPSA: 353.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.63
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 157439999) is 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(C3=CC=CC3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(NC)nc3cc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4cc(C(F)F)ccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(OC)c(-c4ccc(F)cc4F)c(Cl)cc23)CC1.CC/C=C/C(=O)N1CCN(c2ncnc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.

What is the InChIKey of 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is BROCVBJVECLKGD-DBONNTBUSA-N. The full InChI is InChI=1S/C28H24ClFN6O.C25H24ClFN6O.C24H24ClN7O.C22H17ClF4N4O.C22H19ClF2N4O2/c1-3-22(37)35-10-12-36(13-11-35)28-18-14-20(29)24(23-16(2)8-9-21-19(23)15-31-34-21)25(30)26(18)32-27(33-28)17-6-4-5-7-17;1-3-4-5-20(34)32-8-10-33(11-9-32)25-16-12-18(26)22(23(27)24(16)28-14-29-25)21-15(2)6-7-19-17(21)13-30-31-19;1-4-21(33)31-7-9-32(10-8-31)23-16-11-18(25)15(12-20(16)28-24(26-3)29-23)22-14(2)5-6-19-17(22)13-27-30-19;1-2-17(32)30-5-7-31(8-6-30)22-14-10-15(23)18(19(25)20(14)28-11-29-22)13-9-12(21(26)27)3-4-16(13)24;1-3-18(30)28-6-8-29(9-7-28)22-15-11-16(23)19(14-5-4-13(24)10-17(14)25)21(31-2)20(15)26-12-27-22/h3-6,8-9,14-15H,1,7,10-13H2,2H3,(H,31,34);4-7,12-14H,3,8-11H2,1-2H3,(H,30,31);4-6,11-13H,1,7-10H2,2-3H3,(H,27,30)(H,26,28,29);2-4,9-11,21H,1,5-8H2;3-5,10-12H,1,6-9H2,2H3/b;5-4+;;;.

What are the key properties of 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2365.63 g/mol, XLogP of 23.42, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 157439999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).