N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline

C26H22F2N6O — CID 166923417

About N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline

N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline (PubChem CID 166923417) has the molecular formula C26H22F2N6O and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline.

Molecular Properties

• Compound Name: N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
• PubChem CID: 166923417
• Molecular Formula: C26H22F2N6O
• Molecular Weight: 472.50 g/mol
• Exact Mass: 472.18
• IUPAC Name: N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline
• SMILES: NCCOc1cnc2ccc(-c3nc(CNc4cccc(F)c4F)[nH]c3-c3ccccn3)cc2c1
• InChI: InChI=1S/C26H22F2N6O/c27-19-4-3-6-21(24(19)28)32-15-23-33-25(26(34-23)22-5-1-2-10-30-22)16-7-8-20-17(12-16)13-18(14-31-20)35-11-9-29/h1-8,10,12-14,32H,9,11,15,29H2,(H,33,34)
• InChIKey: OXGABPTYACYDNX-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 101.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.50
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline?

The IUPAC name of N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline (CID 166923417) is N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline.

What is the SMILES notation for N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline?

The canonical SMILES for N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline is NCCOc1cnc2ccc(-c3nc(CNc4cccc(F)c4F)[nH]c3-c3ccccn3)cc2c1.

What is the InChIKey of N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline?

The InChIKey is OXGABPTYACYDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O/c27-19-4-3-6-21(24(19)28)32-15-23-33-25(26(34-23)22-5-1-2-10-30-22)16-7-8-20-17(12-16)13-18(14-31-20)35-11-9-29/h1-8,10,12-14,32H,9,11,15,29H2,(H,33,34).

What are the key properties of N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline?

N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline has a molecular weight of 472.50 g/mol, XLogP of 4.91, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2,3-difluoroaniline is sourced from PubChem (CID 166923417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).