7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one

C34H41F2N7O — CID 156752706

About 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one

7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one (PubChem CID 156752706) has the molecular formula C34H41F2N7O and a molecular weight of 601.75 g/mol. Its IUPAC name is 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one.

Molecular Properties

• Compound Name: 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one
• PubChem CID: 156752706
• Molecular Formula: C34H41F2N7O
• Molecular Weight: 601.75 g/mol
• Exact Mass: 601.33
• IUPAC Name: 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one
• SMILES: Cc1ccc(N2CCCC(N(Cc3ccnc(C)c3)Cc3cn(C)c4cc(N5CCC(N)C(F)(F)C5)ccc4c3=O)C2)cn1
• InChI: InChI=1S/C34H41F2N7O/c1-23-6-7-28(17-39-23)41-13-4-5-29(21-41)43(18-25-10-12-38-24(2)15-25)20-26-19-40(3)31-16-27(8-9-30(31)33(26)44)42-14-11-32(37)34(35,36)22-42/h6-10,12,15-17,19,29,32H,4-5,11,13-14,18,20-22,37H2,1-3H3
• InChIKey: FDIQILZNNBCNLX-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 83.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.75
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one?

The IUPAC name of 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one (CID 156752706) is 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one.

What is the SMILES notation for 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one?

The canonical SMILES for 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one is Cc1ccc(N2CCCC(N(Cc3ccnc(C)c3)Cc3cn(C)c4cc(N5CCC(N)C(F)(F)C5)ccc4c3=O)C2)cn1.

What is the InChIKey of 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one?

The InChIKey is FDIQILZNNBCNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F2N7O/c1-23-6-7-28(17-39-23)41-13-4-5-29(21-41)43(18-25-10-12-38-24(2)15-25)20-26-19-40(3)31-16-27(8-9-30(31)33(26)44)42-14-11-32(37)34(35,36)22-42/h6-10,12,15-17,19,29,32H,4-5,11,13-14,18,20-22,37H2,1-3H3.

What are the key properties of 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one?

7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one has a molecular weight of 601.75 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-amino-3,3-difluoropiperidin-1-yl)-1-methyl-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]quinolin-4-one is sourced from PubChem (CID 156752706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).