1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol

C105H156F4N22O11 — CID 163609821

About 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol

1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol (PubChem CID 163609821) has the molecular formula C105H156F4N22O11 and a molecular weight of 1978.54 g/mol. Its IUPAC name is 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol.

Molecular Properties

• Compound Name: 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol
• PubChem CID: 163609821
• Molecular Formula: C105H156F4N22O11
• Molecular Weight: 1978.54 g/mol
• Exact Mass: 1977.23
• IUPAC Name: 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol
• SMILES: COc1cc2c(N3CCCC(N)C3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCCCC3O)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCCCC3O)nc(N3CCCC3)nc2cc1OCCCN1CCCCC1.COc1cc2c(N3CCCCC3O)nc(N3CCCN(C)CC3)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C27H42N6O3.C26H38F2N6O2.C26H37F2N5O3.C26H39N5O3/c1-30-10-7-14-32(17-16-30)27-28-22-20-24(36-18-8-13-31-11-5-6-12-31)23(35-2)19-21(22)26(29-27)33-15-4-3-9-25(33)34;1-35-22-16-20-21(17-23(22)36-15-5-11-32-9-2-3-10-32)30-25(33-13-7-26(27,28)8-14-33)31-24(20)34-12-4-6-19(29)18-34;1-35-21-17-19-20(18-22(21)36-16-6-12-31-10-4-5-11-31)29-25(32-14-8-26(27,28)9-15-32)30-24(19)33-13-3-2-7-23(33)34;1-33-22-18-20-21(19-23(22)34-17-9-13-29-11-4-2-5-12-29)27-26(30-14-7-8-15-30)28-25(20)31-16-6-3-10-24(31)32/h19-20,25,34H,3-18H2,1-2H3;16-17,19H,2-15,18,29H2,1H3;17-18,23,34H,2-16H2,1H3;18-19,24,32H,2-17H2,1H3
• InChIKey: HEYGJTJHLDGJED-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 305.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1978.54
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol?

The IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol (CID 163609821) is 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol.

What is the SMILES notation for 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol?

The canonical SMILES for 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol is COc1cc2c(N3CCCC(N)C3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCCCC3O)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N3CCCCC3O)nc(N3CCCC3)nc2cc1OCCCN1CCCCC1.COc1cc2c(N3CCCCC3O)nc(N3CCCN(C)CC3)nc2cc1OCCCN1CCCC1.

What is the InChIKey of 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol?

The InChIKey is HEYGJTJHLDGJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O3.C26H38F2N6O2.C26H37F2N5O3.C26H39N5O3/c1-30-10-7-14-32(17-16-30)27-28-22-20-24(36-18-8-13-31-11-5-6-12-31)23(35-2)19-21(22)26(29-27)33-15-4-3-9-25(33)34;1-35-22-16-20-21(17-23(22)36-15-5-11-32-9-2-3-10-32)30-25(33-13-7-26(27,28)8-14-33)31-24(20)34-12-4-6-19(29)18-34;1-35-21-17-19-20(18-22(21)36-16-6-12-31-10-4-5-11-31)29-25(32-14-8-26(27,28)9-15-32)30-24(19)33-13-3-2-7-23(33)34;1-33-22-18-20-21(19-23(22)34-17-9-13-29-11-4-2-5-12-29)27-26(30-14-7-8-15-30)28-25(20)31-16-6-3-10-24(31)32/h19-20,25,34H,3-18H2,1-2H3;16-17,19H,2-15,18,29H2,1H3;17-18,23,34H,2-16H2,1H3;18-19,24,32H,2-17H2,1H3.

What are the key properties of 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol?

1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol has a molecular weight of 1978.54 g/mol, XLogP of 14.47, 32 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-3-amine;1-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol;1-[6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-pyrrolidin-1-ylquinazolin-4-yl]piperidin-2-ol is sourced from PubChem (CID 163609821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).