6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline

C27H23FN4O2 — CID 122193715

IUPAC6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4cc(OCCF)ccc4n3)cc2)n1
InChIInChI=1S/C27H23FN4O2/c1-32-17-25(19-10-13-29-14-11-19)27(31-32)20-3-6-23(7-4-20)34-18-22-5-2-21-16-24(33-15-12-28)8-9-26(21)30-22/h2-11,13-14,16-17H,12,15,18H2,1H3
InChIKeyVBFGGPMKYFNQOX-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.62
Rot. Bonds8

About 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline

6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline (PubChem CID 122193715) has the molecular formula C27H23FN4O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
PubChem CID122193715
Molecular FormulaC27H23FN4O2
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Name6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4cc(OCCF)ccc4n3)cc2)n1
InChIInChI=1S/C27H23FN4O2/c1-32-17-25(19-10-13-29-14-11-19)27(31-32)20-3-6-23(7-4-20)34-18-22-5-2-21-16-24(33-15-12-28)8-9-26(21)30-22/h2-11,13-14,16-17H,12,15,18H2,1H3
InChIKeyVBFGGPMKYFNQOX-UHFFFAOYSA-N
XLogP5.62
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
Jsm-10292
CID 25019714
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
Mardepodect hydrochloride
CID 122412737
1-(4-Methyl-piperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethanone
CID 10276818
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
Pyrazole, 16
CID 11567059
LY2109761
CID 11655119
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The IUPAC name of 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline (CID 122193715) is 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4cc(OCCF)ccc4n3)cc2)n1.
What is the InChIKey of 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The InChIKey is VBFGGPMKYFNQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2/c1-32-17-25(19-10-13-29-14-11-19)27(31-32)20-3-6-23(7-4-20)34-18-22-5-2-21-16-24(33-15-12-28)8-9-26(21)30-22/h2-11,13-14,16-17H,12,15,18H2,1H3.
What are the key properties of 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline has a molecular weight of 454.51 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 122193715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).