tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid

C80H75ClF6N12O11 — CID 160879103

About tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid

tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 160879103) has the molecular formula C80H75ClF6N12O11 and a molecular weight of 1529.99 g/mol. Its IUPAC name is tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 160879103
• Molecular Formula: C80H75ClF6N12O11
• Molecular Weight: 1529.99 g/mol
• Exact Mass: 1528.53
• IUPAC Name: tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COc1cc(F)ccc1-c1cccc2cnc(Cl)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C34H36FN5O5.C29H28FN5O3.C15H10ClFN2O.C2HF3O2/c1-34(2,3)45-33(42)40-15-12-22(13-16-40)37-31(41)26-10-11-27(30-25(26)14-17-44-30)38-32-36-19-20-6-5-7-24(29(20)39-32)23-9-8-21(35)18-28(23)43-4;1-37-25-15-18(30)5-6-20(25)21-4-2-3-17-16-32-29(35-26(17)21)34-24-8-7-23(22-11-14-38-27(22)24)28(36)33-19-9-12-31-13-10-19;1-20-13-7-10(17)5-6-11(13)12-4-2-3-9-8-18-15(16)19-14(9)12;3-2(4,5)1(6)7/h5-11,18-19,22H,12-17H2,1-4H3,(H,37,41)(H,36,38,39);2-8,15-16,19,31H,9-14H2,1H3,(H,33,36)(H,32,34,35);2-8H,1H3;(H,6,7)
• InChIKey: MQPNNTLWDUGLQU-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 284.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1529.99
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid (CID 160879103) is tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(F)ccc1-c1cccc2cnc(Cl)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c4c3OCC4)nc12.COc1cc(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is MQPNNTLWDUGLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN5O5.C29H28FN5O3.C15H10ClFN2O.C2HF3O2/c1-34(2,3)45-33(42)40-15-12-22(13-16-40)37-31(41)26-10-11-27(30-25(26)14-17-44-30)38-32-36-19-20-6-5-7-24(29(20)39-32)23-9-8-21(35)18-28(23)43-4;1-37-25-15-18(30)5-6-20(25)21-4-2-3-17-16-32-29(35-26(17)21)34-24-8-7-23(22-11-14-38-27(22)24)28(36)33-19-9-12-31-13-10-19;1-20-13-7-10(17)5-6-11(13)12-4-2-3-9-8-18-15(16)19-14(9)12;3-2(4,5)1(6)7/h5-11,18-19,22H,12-17H2,1-4H3,(H,37,41)(H,36,38,39);2-8,15-16,19,31H,9-14H2,1H3,(H,33,36)(H,32,34,35);2-8H,1H3;(H,6,7).

What are the key properties of tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid?

tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 1529.99 g/mol, XLogP of 15.59, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160879103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).