1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C109H108Cl4F6N24O8 — CID 158378413

About 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 158378413) has the molecular formula C109H108Cl4F6N24O8 and a molecular weight of 2138.02 g/mol. Its IUPAC name is 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 158378413
• Molecular Formula: C109H108Cl4F6N24O8
• Molecular Weight: 2138.02 g/mol
• Exact Mass: 2134.74
• IUPAC Name: 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2nc(N3CC4(CCCC4)C3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC4(CCCC4)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC4(CN(C)C4)C3)nc3c(F)c(-c4c(F)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC)nc3c(OC)c(-c4c(O)cccc4F)c(Cl)cc23)CC1
• InChI: InChI=1S/C30H31ClFN7O.C28H27ClF2N8O.C28H28ClF2N5O2.C23H22ClFN4O4/c1-3-23(40)37-10-12-38(13-11-37)28-19-14-21(31)25(24-18(2)6-7-22-20(24)15-33-36-22)26(32)27(19)34-29(35-28)39-16-30(17-39)8-4-5-9-30;1-3-21(40)37-6-8-38(9-7-37)26-16-10-18(29)23(22-17-11-32-35-20(17)5-4-19(22)30)24(31)25(16)33-27(34-26)39-14-28(15-39)12-36(2)13-28;1-2-21(38)34-10-12-35(13-11-34)26-17-14-18(29)22(23-19(30)6-5-7-20(23)37)24(31)25(17)32-27(33-26)36-15-28(16-36)8-3-4-9-28;1-4-17(31)28-8-10-29(11-9-28)22-13-12-14(24)18(19-15(25)6-5-7-16(19)30)21(32-2)20(13)26-23(27-22)33-3/h3,6-7,14-15H,1,4-5,8-13,16-17H2,2H3,(H,33,36);3-5,10-11H,1,6-9,12-15H2,2H3,(H,32,35);2,5-7,14,37H,1,3-4,8-13,15-16H2;4-7,12,30H,1,8-11H2,2-3H3
• InChIKey: GVMHUSJCLONUMM-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 326.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2138.02
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 158378413) is 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(N3CC4(CCCC4)C3)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC4(CCCC4)C3)nc3c(F)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(N3CC4(CN(C)C4)C3)nc3c(F)c(-c4c(F)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OC)nc3c(OC)c(-c4c(O)cccc4F)c(Cl)cc23)CC1.

What is the InChIKey of 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is GVMHUSJCLONUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClFN7O.C28H27ClF2N8O.C28H28ClF2N5O2.C23H22ClFN4O4/c1-3-23(40)37-10-12-38(13-11-37)28-19-14-21(31)25(24-18(2)6-7-22-20(24)15-33-36-22)26(32)27(19)34-29(35-28)39-16-30(17-39)8-4-5-9-30;1-3-21(40)37-6-8-38(9-7-37)26-16-10-18(29)23(22-17-11-32-35-20(17)5-4-19(22)30)24(31)25(16)33-27(34-26)39-14-28(15-39)12-36(2)13-28;1-2-21(38)34-10-12-35(13-11-34)26-17-14-18(29)22(23-19(30)6-5-7-20(23)37)24(31)25(17)32-27(33-26)36-15-28(16-36)8-3-4-9-28;1-4-17(31)28-8-10-29(11-9-28)22-13-12-14(24)18(19-15(25)6-5-7-16(19)30)21(32-2)20(13)26-23(27-22)33-3/h3,6-7,14-15H,1,4-5,8-13,16-17H2,2H3,(H,33,36);3-5,10-11H,1,6-9,12-15H2,2H3,(H,32,35);2,5-7,14,37H,1,3-4,8-13,15-16H2;4-7,12,30H,1,8-11H2,2-3H3.

What are the key properties of 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2138.02 g/mol, XLogP of 17.98, 17 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-(2-azaspiro[3.4]octan-2-yl)-6-chloro-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-(5-fluoro-1H-indazol-4-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-2,8-dimethoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158378413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).