3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one

C28H27N3O — CID 108741630

IUPAC3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C28H27N3O/c32-28(21-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)31-19-17-30(18-20-31)27-16-15-24-13-7-8-14-26(24)29-27/h1-16,25H,17-21H2
InChIKeyNSZIEXPGNFGJNL-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.11
Rot. Bonds5

About 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one

3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 108741630) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID108741630
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C28H27N3O/c32-28(21-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)31-19-17-30(18-20-31)27-16-15-24-13-7-8-14-26(24)29-27/h1-16,25H,17-21H2
InChIKeyNSZIEXPGNFGJNL-UHFFFAOYSA-N
XLogP5.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 16883534
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764163
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
(Z)-but-2-enedioic acid;ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 126476747
4-(2,6-dimethylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764157

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one (CID 108741630) is 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is NSZIEXPGNFGJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c32-28(21-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)31-19-17-30(18-20-31)27-16-15-24-13-7-8-14-26(24)29-27/h1-16,25H,17-21H2.
What are the key properties of 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one?
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 421.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 108741630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).