1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one

C129H119Cl5F8N28O7 — CID 157292426

About 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one

1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one (PubChem CID 157292426) has the molecular formula C129H119Cl5F8N28O7 and a molecular weight of 2502.81 g/mol. Its IUPAC name is 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one
• PubChem CID: 157292426
• Molecular Formula: C129H119Cl5F8N28O7
• Molecular Weight: 2502.81 g/mol
• Exact Mass: 2498.81
• IUPAC Name: 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2nc(N(C)C)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCCCN(C)C)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4c(C)ccc5n[nH]c(F)c45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4cc(C(F)F)cc5ccccc45)c(Cl)cc23)CC1.CC/C=C/C(=O)N1CCN(c2ncnc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc23)CC1
• InChI: InChI=1S/C28H31ClFN7O2.C27H24ClFN4O2.C26H20ClF3N4O.C25H25ClFN7O.C23H19ClF2N6O/c1-5-22(38)36-10-12-37(13-11-36)27-18-15-20(29)24(23-17(2)7-8-21-19(23)16-31-34-21)25(30)26(18)32-28(33-27)39-14-6-9-35(3)4;1-2-3-8-23(35)32-9-11-33(12-10-32)27-21-15-22(28)24(25(29)26(21)30-16-31-27)20-14-18(34)13-17-6-4-5-7-19(17)20;1-2-21(35)33-7-9-34(10-8-33)26-19-13-20(27)22(23(28)24(19)31-14-32-26)18-12-16(25(29)30)11-15-5-3-4-6-17(15)18;1-5-19(35)33-8-10-34(11-9-33)24-15-12-17(26)21(22(27)23(15)29-25(30-24)32(3)4)20-14(2)6-7-18-16(20)13-28-31-18;1-3-16(33)31-6-8-32(9-7-31)23-13-10-14(24)18(20(25)21(13)27-11-28-23)17-12(2)4-5-15-19(17)22(26)30-29-15/h5,7-8,15-16H,1,6,9-14H2,2-4H3,(H,31,34);3-8,13-16,34H,2,9-12H2,1H3;2-6,11-14,25H,1,7-10H2;5-7,12-13H,1,8-11H2,2-4H3,(H,28,31);3-5,10-11H,1,6-9H2,2H3,(H,29,30)/b;8-3+
• InChIKey: BAYPUXPPYLIEJM-FOHRTGKASA-N
• XLogP: 24.44
• TPSA: 368.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2502.81
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one?

The IUPAC name of 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one (CID 157292426) is 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one.

What is the SMILES notation for 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one?

The canonical SMILES for 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one is C=CC(=O)N1CCN(c2nc(N(C)C)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(OCCCN(C)C)nc3c(F)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4c(C)ccc5n[nH]c(F)c45)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4cc(C(F)F)cc5ccccc45)c(Cl)cc23)CC1.CC/C=C/C(=O)N1CCN(c2ncnc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc23)CC1.

What is the InChIKey of 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one?

The InChIKey is BAYPUXPPYLIEJM-FOHRTGKASA-N. The full InChI is InChI=1S/C28H31ClFN7O2.C27H24ClFN4O2.C26H20ClF3N4O.C25H25ClFN7O.C23H19ClF2N6O/c1-5-22(38)36-10-12-37(13-11-36)27-18-15-20(29)24(23-17(2)7-8-21-19(23)16-31-34-21)25(30)26(18)32-28(33-27)39-14-6-9-35(3)4;1-2-3-8-23(35)32-9-11-33(12-10-32)27-21-15-22(28)24(25(29)26(21)30-16-31-27)20-14-18(34)13-17-6-4-5-7-19(17)20;1-2-21(35)33-7-9-34(10-8-33)26-19-13-20(27)22(23(28)24(19)31-14-32-26)18-12-16(25(29)30)11-15-5-3-4-6-17(15)18;1-5-19(35)33-8-10-34(11-9-33)24-15-12-17(26)21(22(27)23(15)29-25(30-24)32(3)4)20-14(2)6-7-18-16(20)13-28-31-18;1-3-16(33)31-6-8-32(9-7-31)23-13-10-14(24)18(20(25)21(13)27-11-28-23)17-12(2)4-5-15-19(17)22(26)30-29-15/h5,7-8,15-16H,1,6,9-14H2,2-4H3,(H,31,34);3-8,13-16,34H,2,9-12H2,1H3;2-6,11-14,25H,1,7-10H2;5-7,12-13H,1,8-11H2,2-4H3,(H,28,31);3-5,10-11H,1,6-9H2,2H3,(H,29,30)/b;8-3+;;;.

What are the key properties of 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one?

1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one has a molecular weight of 2502.81 g/mol, XLogP of 24.44, 23 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-chloro-7-[3-(difluoromethyl)naphthalen-1-yl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-(dimethylamino)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-2-[3-(dimethylamino)propoxy]-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-(3-fluoro-5-methyl-2H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one is sourced from PubChem (CID 157292426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).