N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C133H164F10N28O10 — CID 163601579

About N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 163601579) has the molecular formula C133H164F10N28O10 and a molecular weight of 2504.94 g/mol. Its IUPAC name is N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

• Compound Name: N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
• PubChem CID: 163601579
• Molecular Formula: C133H164F10N28O10
• Molecular Weight: 2504.94 g/mol
• Exact Mass: 2503.30
• IUPAC Name: N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
• SMILES: COc1cc2c(NCc3ccccc3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccccc3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccccn3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3cccnc3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccncc3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C28H35F2N5O2.C27H33F2N5O2.3C26H32F2N6O2/c1-36-24-18-22-23(19-25(24)37-17-7-14-34-12-5-6-13-34)32-27(35-15-10-28(29,30)11-16-35)33-26(22)31-20-21-8-3-2-4-9-21;1-35-23-18-21-22(19-24(23)36-17-7-14-33-12-5-6-13-33)31-26(34-15-10-27(28,29)11-16-34)32-25(21)30-20-8-3-2-4-9-20;1-35-22-17-20-21(18-23(22)36-16-4-13-33-11-2-3-12-33)31-25(34-14-7-26(27,28)8-15-34)32-24(20)30-19-5-9-29-10-6-19;1-35-22-16-20-21(17-23(22)36-15-5-12-33-10-2-3-11-33)31-25(34-13-7-26(27,28)8-14-34)32-24(20)30-19-6-4-9-29-18-19;1-35-21-17-19-20(18-22(21)36-16-6-13-33-11-4-5-12-33)30-25(34-14-8-26(27,28)9-15-34)32-24(19)31-23-7-2-3-10-29-23/h2-4,8-9,18-19H,5-7,10-17,20H2,1H3,(H,31,32,33);2-4,8-9,18-19H,5-7,10-17H2,1H3,(H,30,31,32);5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,29,30,31,32);4,6,9,16-18H,2-3,5,7-8,10-15H2,1H3,(H,30,31,32);2-3,7,10,17-18H,4-6,8-9,11-16H2,1H3,(H,29,30,31,32)
• InChIKey: GYCOQBUDFRSOOF-UHFFFAOYSA-N
• XLogP: 25.46
• TPSA: 352.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 46
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2504.94
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The IUPAC name of N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 163601579) is N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

What is the SMILES notation for N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The canonical SMILES for N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(NCc3ccccc3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccccc3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccccn3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3cccnc3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccncc3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.

What is the InChIKey of N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The InChIKey is GYCOQBUDFRSOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N5O2.C27H33F2N5O2.3C26H32F2N6O2/c1-36-24-18-22-23(19-25(24)37-17-7-14-34-12-5-6-13-34)32-27(35-15-10-28(29,30)11-16-35)33-26(22)31-20-21-8-3-2-4-9-21;1-35-23-18-21-22(19-24(23)36-17-7-14-33-12-5-6-13-33)31-26(34-15-10-27(28,29)11-16-34)32-25(21)30-20-8-3-2-4-9-20;1-35-22-17-20-21(18-23(22)36-16-4-13-33-11-2-3-12-33)31-25(34-14-7-26(27,28)8-15-34)32-24(20)30-19-5-9-29-10-6-19;1-35-22-16-20-21(17-23(22)36-15-5-12-33-10-2-3-11-33)31-25(34-13-7-26(27,28)8-14-34)32-24(20)30-19-6-4-9-29-18-19;1-35-21-17-19-20(18-22(21)36-16-6-13-33-11-4-5-12-33)30-25(34-14-8-26(27,28)9-15-34)32-24(19)31-23-7-2-3-10-29-23/h2-4,8-9,18-19H,5-7,10-17,20H2,1H3,(H,31,32,33);2-4,8-9,18-19H,5-7,10-17H2,1H3,(H,30,31,32);5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,29,30,31,32);4,6,9,16-18H,2-3,5,7-8,10-15H2,1H3,(H,30,31,32);2-3,7,10,17-18H,4-6,8-9,11-16H2,1H3,(H,29,30,31,32).

What are the key properties of N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 2504.94 g/mol, XLogP of 25.46, 46 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-3-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 163601579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).