3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one

C16H17N3O3 — CID 141330643

IUPAC3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)COc1ccnc2ccccc12
InChIInChI=1S/C16H17N3O3/c1-11-16(21)18-8-9-19(11)15(20)10-22-14-6-7-17-13-5-3-2-4-12(13)14/h2-7,11H,8-10H2,1H3,(H,18,21)
InChIKeyGUFHWIMKJASMQG-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.96
Rot. Bonds3

About 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one

3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one (PubChem CID 141330643) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
PubChem CID141330643
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)COc1ccnc2ccccc12
InChIInChI=1S/C16H17N3O3/c1-11-16(21)18-8-9-19(11)15(20)10-22-14-6-7-17-13-5-3-2-4-12(13)14/h2-7,11H,8-10H2,1H3,(H,18,21)
InChIKeyGUFHWIMKJASMQG-UHFFFAOYSA-N
XLogP0.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-hydroxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63606388
4-[2-(2-aminophenoxy)acetyl]-3-methylpiperazin-2-one
CID 55217652
3-methyl-4-(2-phenoxyacetyl)piperazin-2-one
CID 63079192
4-[2-(4-ethoxyphenoxy)acetyl]-3-methylpiperazin-2-one
CID 63373690
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazin-2-one
CID 63078352
1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141217853
4-[3-(2-aminophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63595747
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141330636
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878
methyl 2-quinolin-4-yloxyacetate
CID 151479480
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone
CID 141217855
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
CID 63594537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one (CID 141330643) is 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one is CC1C(=O)NCCN1C(=O)COc1ccnc2ccccc12.
What is the InChIKey of 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one?
The InChIKey is GUFHWIMKJASMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-16(21)18-8-9-19(11)15(20)10-22-14-6-7-17-13-5-3-2-4-12(13)14/h2-7,11H,8-10H2,1H3,(H,18,21).
What are the key properties of 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one?
3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one has a molecular weight of 299.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one is sourced from PubChem (CID 141330643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).