2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C27H26N4O2S — CID 24677995

IUPAC2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCN(c4ccccn4)CC3)nc2c1
InChIInChI=1S/C27H26N4O2S/c1-33-21-10-11-22-23(20-7-3-2-4-8-20)18-26(29-24(22)17-21)34-19-27(32)31-15-13-30(14-16-31)25-9-5-6-12-28-25/h2-12,17-18H,13-16,19H2,1H3
InChIKeyHGBZOSSUUJOIGG-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.75
Rot. Bonds6

About 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 24677995) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID24677995
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCN(c4ccccn4)CC3)nc2c1
InChIInChI=1S/C27H26N4O2S/c1-33-21-10-11-22-23(20-7-3-2-4-8-20)18-26(29-24(22)17-21)34-19-27(32)31-15-13-30(14-16-31)25-9-5-6-12-28-25/h2-12,17-18H,13-16,19H2,1H3
InChIKeyHGBZOSSUUJOIGG-UHFFFAOYSA-N
XLogP4.75
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17402158
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CID 40661404
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 7753218
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 7175108
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8731458
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039
4-(7-methoxy-4-phenylquinolin-2-yl)morpholine;oxalic acid
CID 2998399
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 18157810
2-ethanimidoyl-4-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-3-oxobutanenitrile
CID 7246005
N-(1,1-dioxothiolan-3-yl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
CID 4876405
7-methoxy-2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110434229
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone
CID 25491118

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 24677995) is 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is COc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCN(c4ccccn4)CC3)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is HGBZOSSUUJOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-33-21-10-11-22-23(20-7-3-2-4-8-20)18-26(29-24(22)17-21)34-19-27(32)31-15-13-30(14-16-31)25-9-5-6-12-28-25/h2-12,17-18H,13-16,19H2,1H3.
What are the key properties of 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 470.60 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 24677995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).