1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone

C26H27N5O2 — CID 70683518

IUPAC1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOc2ccc3c(-c4cnn(-c5ccccc5)c4)ccnc3c2)CC1
InChIInChI=1S/C26H27N5O2/c1-20(32)30-13-11-29(12-14-30)15-16-33-23-7-8-25-24(9-10-27-26(25)17-23)21-18-28-31(19-21)22-5-3-2-4-6-22/h2-10,17-19H,11-16H2,1H3
InChIKeyFVERYMXRPUFAJS-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.63
Rot. Bonds6

About 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone

1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone (PubChem CID 70683518) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
PubChem CID70683518
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOc2ccc3c(-c4cnn(-c5ccccc5)c4)ccnc3c2)CC1
InChIInChI=1S/C26H27N5O2/c1-20(32)30-13-11-29(12-14-30)15-16-33-23-7-8-25-24(9-10-27-26(25)17-23)21-18-28-31(19-21)22-5-3-2-4-6-22/h2-10,17-19H,11-16H2,1H3
InChIKeyFVERYMXRPUFAJS-UHFFFAOYSA-N
XLogP3.63
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]morpholine
CID 70683517
1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone
CID 10215430
1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone
CID 141289176
1-phenyl-4-(2-pyrrolidin-1-ylethoxy)pyrazole
CID 117234134
7-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-phenyl-2H-isoquinolin-1-one
CID 141281104
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
CID 59372963
4-[2-[6-(4-pyridin-4-ylpyrazol-1-yl)naphthalen-2-yl]oxyethyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 53393104
4-[2-(4-acetylpiperazin-1-yl)ethoxy]benzenecarbothioamide
CID 43290386
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone (CID 70683518) is 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCOc2ccc3c(-c4cnn(-c5ccccc5)c4)ccnc3c2)CC1.
What is the InChIKey of 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone?
The InChIKey is FVERYMXRPUFAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-20(32)30-13-11-29(12-14-30)15-16-33-23-7-8-25-24(9-10-27-26(25)17-23)21-18-28-31(19-21)22-5-3-2-4-6-22/h2-10,17-19H,11-16H2,1H3.
What are the key properties of 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone?
1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone has a molecular weight of 441.54 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70683518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).