2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide

C22H22F2N4O2 — CID 166340976

IUPAC2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
SMILESCn1cc(CN2CCCc3c(OCC(N)=O)cccc32)c(-c2cc(F)ccc2F)n1
InChIInChI=1S/C22H22F2N4O2/c1-27-11-14(22(26-27)17-10-15(23)7-8-18(17)24)12-28-9-3-4-16-19(28)5-2-6-20(16)30-13-21(25)29/h2,5-8,10-11H,3-4,9,12-13H2,1H3,(H2,25,29)
InChIKeyLIKBOGATGHGUEV-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.18
Rot. Bonds6

About 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide

2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide (PubChem CID 166340976) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
PubChem CID166340976
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
SMILESCn1cc(CN2CCCc3c(OCC(N)=O)cccc32)c(-c2cc(F)ccc2F)n1
InChIInChI=1S/C22H22F2N4O2/c1-27-11-14(22(26-27)17-10-15(23)7-8-18(17)24)12-28-9-3-4-16-19(28)5-2-6-20(16)30-13-21(25)29/h2,5-8,10-11H,3-4,9,12-13H2,1H3,(H2,25,29)
InChIKeyLIKBOGATGHGUEV-UHFFFAOYSA-N
XLogP3.18
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The IUPAC name of 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide (CID 166340976) is 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide.
What is the SMILES notation for 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The canonical SMILES for 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide is Cn1cc(CN2CCCc3c(OCC(N)=O)cccc32)c(-c2cc(F)ccc2F)n1.
What is the InChIKey of 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The InChIKey is LIKBOGATGHGUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-27-11-14(22(26-27)17-10-15(23)7-8-18(17)24)12-28-9-3-4-16-19(28)5-2-6-20(16)30-13-21(25)29/h2,5-8,10-11H,3-4,9,12-13H2,1H3,(H2,25,29).
What are the key properties of 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide has a molecular weight of 412.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[3-(2,5-difluorophenyl)-1-methylpyrazol-4-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide is sourced from PubChem (CID 166340976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).