1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea

C142H112F5N31O6 — CID 158253119

About 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea

1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 158253119) has the molecular formula C142H112F5N31O6 and a molecular weight of 2443.66 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea
• PubChem CID: 158253119
• Molecular Formula: C142H112F5N31O6
• Molecular Weight: 2443.66 g/mol
• Exact Mass: 2441.93
• IUPAC Name: 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea
• SMILES: C#Cc1cccc(Nc2ncnc3ccc(NC(=O)N(C)Cc4cccc(F)c4)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)N4CCCCC4)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NCc4ccc(F)cc4F)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NCc4cccc(F)c4)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NCc4ccccc4F)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NCc4cccnc4)cc23)c1
• InChI: InChI=1S/C25H20FN5O.C24H17F2N5O.2C24H18FN5O.C23H18N6O.C22H21N5O/c1-3-17-6-5-9-20(13-17)29-24-22-14-21(10-11-23(22)27-16-28-24)30-25(32)31(2)15-18-7-4-8-19(26)12-18;1-2-15-4-3-5-18(10-15)30-23-20-12-19(8-9-22(20)28-14-29-23)31-24(32)27-13-16-6-7-17(25)11-21(16)26;1-2-16-5-4-8-19(12-16)29-23-21-13-20(9-10-22(21)27-15-28-23)30-24(31)26-14-17-6-3-7-18(25)11-17;1-2-16-6-5-8-18(12-16)29-23-20-13-19(10-11-22(20)27-15-28-23)30-24(31)26-14-17-7-3-4-9-21(17)25;1-2-16-5-3-7-18(11-16)28-22-20-12-19(8-9-21(20)26-15-27-22)29-23(30)25-14-17-6-4-10-24-13-17;1-2-16-7-6-8-17(13-16)25-21-19-14-18(9-10-20(19)23-15-24-21)26-22(28)27-11-4-3-5-12-27/h1,4-14,16H,15H2,2H3,(H,30,32)(H,27,28,29);1,3-12,14H,13H2,(H2,27,31,32)(H,28,29,30);2*1,3-13,15H,14H2,(H2,26,30,31)(H,27,28,29);1,3-13,15H,14H2,(H2,25,29,30)(H,26,27,28);1,6-10,13-15H,3-5,11-12H2,(H,26,28)(H,23,24,25)
• InChIKey: GGYMXGGYXOJSJW-UHFFFAOYSA-N
• XLogP: 28.19
• TPSA: 468.95 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.66
LogP ≤ 5	28.19
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea?

The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea (CID 158253119) is 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea.

What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea?

The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea is C#Cc1cccc(Nc2ncnc3ccc(NC(=O)N(C)Cc4cccc(F)c4)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)N4CCCCC4)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NCc4ccc(F)cc4F)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NCc4cccc(F)c4)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NCc4ccccc4F)cc23)c1.C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NCc4cccnc4)cc23)c1.

What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea?

The InChIKey is GGYMXGGYXOJSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O.C24H17F2N5O.2C24H18FN5O.C23H18N6O.C22H21N5O/c1-3-17-6-5-9-20(13-17)29-24-22-14-21(10-11-23(22)27-16-28-24)30-25(32)31(2)15-18-7-4-8-19(26)12-18;1-2-15-4-3-5-18(10-15)30-23-20-12-19(8-9-22(20)28-14-29-23)31-24(32)27-13-16-6-7-17(25)11-21(16)26;1-2-16-5-4-8-19(12-16)29-23-21-13-20(9-10-22(21)27-15-28-23)30-24(31)26-14-17-6-3-7-18(25)11-17;1-2-16-6-5-8-18(12-16)29-23-20-13-19(10-11-22(20)27-15-28-23)30-24(31)26-14-17-7-3-4-9-21(17)25;1-2-16-5-3-7-18(11-16)28-22-20-12-19(8-9-21(20)26-15-27-22)29-23(30)25-14-17-6-4-10-24-13-17;1-2-16-7-6-8-17(13-16)25-21-19-14-18(9-10-20(19)23-15-24-21)26-22(28)27-11-4-3-5-12-27/h1,4-14,16H,15H2,2H3,(H,30,32)(H,27,28,29);1,3-12,14H,13H2,(H2,27,31,32)(H,28,29,30);2*1,3-13,15H,14H2,(H2,26,30,31)(H,27,28,29);1,3-13,15H,14H2,(H2,25,29,30)(H,26,27,28);1,6-10,13-15H,3-5,11-12H2,(H,26,28)(H,23,24,25).

What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea?

1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 2443.66 g/mol, XLogP of 28.19, 28 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-difluorophenyl)methyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]urea;3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-[(3-fluorophenyl)methyl]-1-methylurea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(2-fluorophenyl)methyl]urea;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[(3-fluorophenyl)methyl]urea;N-[4-(3-ethynylanilino)quinazolin-6-yl]piperidine-1-carboxamide;1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 158253119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).