5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine

C28H45F2N7 — CID 154690450

About 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine

5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 154690450) has the molecular formula C28H45F2N7 and a molecular weight of 517.71 g/mol. Its IUPAC name is 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

• Compound Name: 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine
• PubChem CID: 154690450
• Molecular Formula: C28H45F2N7
• Molecular Weight: 517.71 g/mol
• Exact Mass: 517.37
• IUPAC Name: 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine
• SMILES: CN1CC(C)(c2cc3c(cc2C(F)F)N(C(C)(N)C2=C(NC4CCNCC4)CCNC2)CCC3)CN1C
• InChI: InChI=1S/C28H45F2N7/c1-27(17-35(3)36(4)18-27)22-14-19-6-5-13-37(25(19)15-21(22)26(29)30)28(2,31)23-16-33-12-9-24(23)34-20-7-10-32-11-8-20/h14-15,20,26,32-34H,5-13,16-18,31H2,1-4H3
• InChIKey: QNEDMEFZSYMTGC-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 71.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.71
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine?

The IUPAC name of 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine (CID 154690450) is 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine.

What is the SMILES notation for 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine?

The canonical SMILES for 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine is CN1CC(C)(c2cc3c(cc2C(F)F)N(C(C)(N)C2=C(NC4CCNCC4)CCNC2)CCC3)CN1C.

What is the InChIKey of 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine?

The InChIKey is QNEDMEFZSYMTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45F2N7/c1-27(17-35(3)36(4)18-27)22-14-19-6-5-13-37(25(19)15-21(22)26(29)30)28(2,31)23-16-33-12-9-24(23)34-20-7-10-32-11-8-20/h14-15,20,26,32-34H,5-13,16-18,31H2,1-4H3.

What are the key properties of 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine?

5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 517.71 g/mol, XLogP of 2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-amino-1-[7-(difluoromethyl)-6-(1,2,4-trimethylpyrazolidin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-N-piperidin-4-yl-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 154690450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).