N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline

C27H25FN6O — CID 166923603

About N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline

N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline (PubChem CID 166923603) has the molecular formula C27H25FN6O and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline.

Molecular Properties

• Compound Name: N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline
• PubChem CID: 166923603
• Molecular Formula: C27H25FN6O
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.21
• IUPAC Name: N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline
• SMILES: Cc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3ncc(OCCN)cc3c2)n1
• InChI: InChI=1S/C27H25FN6O/c1-17-4-2-7-24(32-17)27-26(33-25(34-27)16-30-21-6-3-5-20(28)14-21)18-8-9-23-19(12-18)13-22(15-31-23)35-11-10-29/h2-9,12-15,30H,10-11,16,29H2,1H3,(H,33,34)
• InChIKey: JKSDRLNLABWYMJ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 101.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	5.08
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-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline?

The IUPAC name of N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline (CID 166923603) is N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline.

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

The canonical SMILES for N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline is Cc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3ncc(OCCN)cc3c2)n1.

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

The InChIKey is JKSDRLNLABWYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O/c1-17-4-2-7-24(32-17)27-26(33-25(34-27)16-30-21-6-3-5-20(28)14-21)18-8-9-23-19(12-18)13-22(15-31-23)35-11-10-29/h2-9,12-15,30H,10-11,16,29H2,1H3,(H,33,34).

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

N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline has a molecular weight of 468.54 g/mol, XLogP of 5.08, 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-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline is sourced from PubChem (CID 166923603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).