1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone

C22H23N3O2 — CID 169422573

IUPAC1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(-c4ccccc4O)cc(C)c3c2)CC1
InChIInChI=1S/C22H23N3O2/c1-15-13-21(18-5-3-4-6-22(18)27)23-20-8-7-17(14-19(15)20)25-11-9-24(10-12-25)16(2)26/h3-8,13-14,27H,9-12H2,1-2H3
InChIKeyVTLCPPDBBIMGTD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.58
Rot. Bonds2

About 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone

1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone (PubChem CID 169422573) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
PubChem CID169422573
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(-c4ccccc4O)cc(C)c3c2)CC1
InChIInChI=1S/C22H23N3O2/c1-15-13-21(18-5-3-4-6-22(18)27)23-20-8-7-17(14-19(15)20)25-11-9-24(10-12-25)16(2)26/h3-8,13-14,27H,9-12H2,1-2H3
InChIKeyVTLCPPDBBIMGTD-UHFFFAOYSA-N
XLogP3.58
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169411618
1-[4-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]piperazin-1-yl]ethanone
CID 169417416
2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid
CID 68919304
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
3-methyl-5-[4-methyl-6-(4-methylpiperazin-1-yl)quinolin-2-yl]-1,2-oxazole
CID 169416921
1-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 142506397
2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum
CID 135975765
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
2-[4-(4-acetylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518953
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylic acid
CID 166643388
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone (CID 169422573) is 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3nc(-c4ccccc4O)cc(C)c3c2)CC1.
What is the InChIKey of 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone?
The InChIKey is VTLCPPDBBIMGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-13-21(18-5-3-4-6-22(18)27)23-20-8-7-17(14-19(15)20)25-11-9-24(10-12-25)16(2)26/h3-8,13-14,27H,9-12H2,1-2H3.
What are the key properties of 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone?
1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 361.45 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 169422573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).