1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone

C24H25N3O2 — CID 112762995

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c1-17-21(16-23(29)27-14-12-26(13-15-27)18(2)28)24(19-8-4-3-5-9-19)20-10-6-7-11-22(20)25-17/h3-11H,12-16H2,1-2H3
InChIKeyACNKIQOCCXVJIH-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone (PubChem CID 112762995) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
PubChem CID112762995
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c1-17-21(16-23(29)27-14-12-26(13-15-27)18(2)28)24(19-8-4-3-5-9-19)20-10-6-7-11-22(20)25-17/h3-11H,12-16H2,1-2H3
InChIKeyACNKIQOCCXVJIH-UHFFFAOYSA-N
XLogP3.44
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazine-1-carboxamide
CID 86981009
N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 112814409
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112767911
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 112794963
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 18273294
1-(1,4-diazepan-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 119415901
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 8850901

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone (CID 112762995) is 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone is CC(=O)N1CCN(C(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone?
The InChIKey is ACNKIQOCCXVJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-21(16-23(29)27-14-12-26(13-15-27)18(2)28)24(19-8-4-3-5-9-19)20-10-6-7-11-22(20)25-17/h3-11H,12-16H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone has a molecular weight of 387.48 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone is sourced from PubChem (CID 112762995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).