1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone

C19H25N3O3 — CID 141330626

IUPAC1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone
SMILESCOCCN1CCN(C(=O)COc2ccnc3cc(C)ccc23)CC1
InChIInChI=1S/C19H25N3O3/c1-15-3-4-16-17(13-15)20-6-5-18(16)25-14-19(23)22-9-7-21(8-10-22)11-12-24-2/h3-6,13H,7-12,14H2,1-2H3
InChIKeySDESITIPRPLNPE-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.71
Rot. Bonds6

About 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone

1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone (PubChem CID 141330626) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone
PubChem CID141330626
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone
SMILESCOCCN1CCN(C(=O)COc2ccnc3cc(C)ccc23)CC1
InChIInChI=1S/C19H25N3O3/c1-15-3-4-16-17(13-15)20-6-5-18(16)25-14-19(23)22-9-7-21(8-10-22)11-12-24-2/h3-6,13H,7-12,14H2,1-2H3
InChIKeySDESITIPRPLNPE-UHFFFAOYSA-N
XLogP1.71
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxypiperidin-1-yl)-2-(7-methylquinolin-4-yl)oxyethanone
CID 141217877
7-methyl-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoethoxy]quinoline-2-carboxylic acid
CID 68600464
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984767
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 86913342
2-(2,4-dimethylphenoxy)-1-[4-[2-(2,3,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108534589
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
2-(6-methylquinolin-4-yl)oxyethanol
CID 50877423
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141330636
2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108729564
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
2-(3-methylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 17013748

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone?
The IUPAC name of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone (CID 141330626) is 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone.
What is the SMILES notation for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone?
The canonical SMILES for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone is COCCN1CCN(C(=O)COc2ccnc3cc(C)ccc23)CC1.
What is the InChIKey of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone?
The InChIKey is SDESITIPRPLNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15-3-4-16-17(13-15)20-6-5-18(16)25-14-19(23)22-9-7-21(8-10-22)11-12-24-2/h3-6,13H,7-12,14H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone?
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone has a molecular weight of 343.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(7-methylquinolin-4-yl)oxyethanone is sourced from PubChem (CID 141330626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).