(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone

C23H25N3O2 — CID 108765053

IUPAC(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-3-28-19-10-8-18(9-11-19)23(27)26-14-12-25(13-15-26)22-16-17(2)20-6-4-5-7-21(20)24-22/h4-11,16H,3,12-15H2,1-2H3
InChIKeyXIBFOYNIIZDDFS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.90
Rot. Bonds4

About (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone

(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 108765053) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID108765053
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-3-28-19-10-8-18(9-11-19)23(27)26-14-12-25(13-15-26)22-16-17(2)20-6-4-5-7-21(20)24-22/h4-11,16H,3,12-15H2,1-2H3
InChIKeyXIBFOYNIIZDDFS-UHFFFAOYSA-N
XLogP3.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759809
2-[4-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108765052
4-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6265762
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
(4-ethoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180939
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone (CID 108765053) is (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is XIBFOYNIIZDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-28-19-10-8-18(9-11-19)23(27)26-14-12-25(13-15-26)22-16-17(2)20-6-4-5-7-21(20)24-22/h4-11,16H,3,12-15H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108765053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).