N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine

C130H161F12N29O5 — CID 163856429

About N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine

N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine (PubChem CID 163856429) has the molecular formula C130H161F12N29O5 and a molecular weight of 2437.89 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
• PubChem CID: 163856429
• Molecular Formula: C130H161F12N29O5
• Molecular Weight: 2437.89 g/mol
• Exact Mass: 2436.30
• IUPAC Name: N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
• SMILES: COc1cc2c(NC3CCCCN3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCCNC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCNC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCNCC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(Nc3cc(F)cc(F)c3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1
• InChI: InChI=1S/C27H27F4N5O.3C26H34F2N6O.C25H32F2N6O/c1-37-24-17-22-23(13-18(24)5-4-10-35-8-2-3-9-35)33-26(36-11-6-27(30,31)7-12-36)34-25(22)32-21-15-19(28)14-20(29)16-21;1-35-23-17-21-22(16-19(23)6-5-13-33-11-2-3-12-33)31-25(34-14-8-26(27,28)9-15-34)32-24(21)30-20-7-4-10-29-18-20;1-35-23-18-21-22(17-19(23)5-4-14-33-12-2-3-13-33)31-25(34-15-8-26(27,28)9-16-34)32-24(21)30-20-6-10-29-11-7-20;1-35-22-18-20-21(17-19(22)7-6-14-33-12-4-5-13-33)30-25(34-15-9-26(27,28)10-16-34)32-24(20)31-23-8-2-3-11-29-23;1-34-22-16-20-21(15-18(22)5-4-12-32-10-2-3-11-32)30-24(33-13-7-25(26,27)8-14-33)31-23(20)29-19-6-9-28-17-19/h13-17H,2-3,6-12H2,1H3,(H,32,33,34);16-17,20,29H,2-4,7-15,18H2,1H3,(H,30,31,32);17-18,20,29H,2-3,6-16H2,1H3,(H,30,31,32);17-18,23,29H,2-5,8-16H2,1H3,(H,30,31,32);15-16,19,28H,2-3,6-14,17H2,1H3,(H,29,30,31)
• InChIKey: OYRPWJSTWUPWEG-UHFFFAOYSA-N
• XLogP: 19.24
• TPSA: 315.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2437.89
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine?

The IUPAC name of N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine (CID 163856429) is N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine.

What is the SMILES notation for N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine?

The canonical SMILES for N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine is COc1cc2c(NC3CCCCN3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCCNC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCNC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NC3CCNCC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(Nc3cc(F)cc(F)c3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.

What is the InChIKey of N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine?

The InChIKey is OYRPWJSTWUPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N5O.3C26H34F2N6O.C25H32F2N6O/c1-37-24-17-22-23(13-18(24)5-4-10-35-8-2-3-9-35)33-26(36-11-6-27(30,31)7-12-36)34-25(22)32-21-15-19(28)14-20(29)16-21;1-35-23-17-21-22(16-19(23)6-5-13-33-11-2-3-12-33)31-25(34-14-8-26(27,28)9-15-34)32-24(21)30-20-7-4-10-29-18-20;1-35-23-18-21-22(17-19(23)5-4-14-33-12-2-3-13-33)31-25(34-15-8-26(27,28)9-16-34)32-24(21)30-20-6-10-29-11-7-20;1-35-22-18-20-21(17-19(22)7-6-14-33-12-4-5-13-33)30-25(34-15-9-26(27,28)10-16-34)32-24(20)31-23-8-2-3-11-29-23;1-34-22-16-20-21(15-18(22)5-4-12-32-10-2-3-11-32)30-24(33-13-7-25(26,27)8-14-33)31-23(20)29-19-6-9-28-17-19/h13-17H,2-3,6-12H2,1H3,(H,32,33,34);16-17,20,29H,2-4,7-15,18H2,1H3,(H,30,31,32);17-18,20,29H,2-3,6-16H2,1H3,(H,30,31,32);17-18,23,29H,2-5,8-16H2,1H3,(H,30,31,32);15-16,19,28H,2-3,6-14,17H2,1H3,(H,29,30,31).

What are the key properties of N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine?

N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine has a molecular weight of 2437.89 g/mol, XLogP of 19.24, 25 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-difluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-2-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-piperidin-4-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyrrolidin-3-yl-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine is sourced from PubChem (CID 163856429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).