2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine

C131H172F10N30O7 — CID 163663534

About 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine

2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine (PubChem CID 163663534) has the molecular formula C131H172F10N30O7 and a molecular weight of 2469.00 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
• PubChem CID: 163663534
• Molecular Formula: C131H172F10N30O7
• Molecular Weight: 2469.00 g/mol
• Exact Mass: 2467.39
• IUPAC Name: 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine
• SMILES: COc1cc2c(NC3COC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCC3CCN(C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCC3CCNCC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3CCOCC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1
• InChI: InChI=1S/C28H38F2N6O.C27H36F2N6O.C26H35F2N7O.C26H34F2N6O2.C24H29F2N5O2/c1-34-14-7-21(8-15-34)20-31-26-23-19-25(37-2)22(6-5-13-35-11-3-4-12-35)18-24(23)32-27(33-26)36-16-9-28(29,30)10-17-36;1-36-24-18-22-23(17-21(24)5-4-14-34-12-2-3-13-34)32-26(35-15-8-27(28,29)9-16-35)33-25(22)31-19-20-6-10-30-11-7-20;1-36-23-18-21-22(17-20(23)5-4-12-33-10-2-3-11-33)31-25(35-13-6-26(27,28)7-14-35)32-24(21)30-19-34-15-8-29-9-16-34;1-35-23-18-21-22(17-20(23)5-4-10-32-8-2-3-9-32)30-25(34-11-6-26(27,28)7-12-34)31-24(21)29-19-33-13-15-36-16-14-33;1-32-21-14-19-20(13-17(21)5-4-10-30-8-2-3-9-30)28-23(29-22(19)27-18-15-33-16-18)31-11-6-24(25,26)7-12-31/h18-19,21H,3-4,7-17,20H2,1-2H3,(H,31,32,33);17-18,20,30H,2-3,6-16,19H2,1H3,(H,31,32,33);17-18,29H,2-3,6-16,19H2,1H3,(H,30,31,32);17-18H,2-3,6-16,19H2,1H3,(H,29,30,31);13-14,18H,2-3,6-12,15-16H2,1H3,(H,27,28,29)
• InChIKey: IWKIEXPAPWBMNG-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 319.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2469.00
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine?

The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine (CID 163663534) is 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine.

What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine?

The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine is COc1cc2c(NC3COC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCC3CCN(C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCC3CCNCC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.COc1cc2c(NCN3CCOCC3)nc(N3CCC(F)(F)CC3)nc2cc1C#CCN1CCCC1.

What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine?

The InChIKey is IWKIEXPAPWBMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F2N6O.C27H36F2N6O.C26H35F2N7O.C26H34F2N6O2.C24H29F2N5O2/c1-34-14-7-21(8-15-34)20-31-26-23-19-25(37-2)22(6-5-13-35-11-3-4-12-35)18-24(23)32-27(33-26)36-16-9-28(29,30)10-17-36;1-36-24-18-22-23(17-21(24)5-4-14-34-12-2-3-13-34)32-26(35-15-8-27(28,29)9-16-35)33-25(22)31-19-20-6-10-30-11-7-20;1-36-23-18-21-22(17-20(23)5-4-12-33-10-2-3-11-33)31-25(35-13-6-26(27,28)7-14-35)32-24(21)30-19-34-15-8-29-9-16-34;1-35-23-18-21-22(17-20(23)5-4-10-32-8-2-3-9-32)30-25(34-11-6-26(27,28)7-12-34)31-24(21)29-19-33-13-15-36-16-14-33;1-32-21-14-19-20(13-17(21)5-4-10-30-8-2-3-9-30)28-23(29-22(19)27-18-15-33-16-18)31-11-6-24(25,26)7-12-31/h18-19,21H,3-4,7-17,20H2,1-2H3,(H,31,32,33);17-18,20,30H,2-3,6-16,19H2,1H3,(H,31,32,33);17-18,29H,2-3,6-16,19H2,1H3,(H,30,31,32);17-18H,2-3,6-16,19H2,1H3,(H,29,30,31);13-14,18H,2-3,6-12,15-16H2,1H3,(H,27,28,29).

What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine?

2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine has a molecular weight of 2469.00 g/mol, XLogP of 16.56, 29 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(oxetan-3-yl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(piperidin-4-ylmethyl)-7-(3-pyrrolidin-1-ylprop-1-ynyl)quinazolin-4-amine is sourced from PubChem (CID 163663534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).