3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one

C17H23N3O2 — CID 110282575

IUPAC3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one
SMILESCCN1CCNC(CC(=O)N2CCCc3ccccc32)C1=O
InChIInChI=1S/C17H23N3O2/c1-2-19-11-9-18-14(17(19)22)12-16(21)20-10-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,14,18H,2,5,7,9-12H2,1H3
InChIKeyZGTUERPIZYAZAS-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.18
Rot. Bonds3

About 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one (PubChem CID 110282575) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one
PubChem CID110282575
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one
SMILESCCN1CCNC(CC(=O)N2CCCc3ccccc32)C1=O
InChIInChI=1S/C17H23N3O2/c1-2-19-11-9-18-14(17(19)22)12-16(21)20-10-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,14,18H,2,5,7,9-12H2,1H3
InChIKeyZGTUERPIZYAZAS-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283062
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-methylpiperazin-2-one;hydrochloride
CID 110282474
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509738
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one
CID 110283738
1-(2,3-dihydroindol-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509706
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110857116
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one?
The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one (CID 110282575) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one is CCN1CCNC(CC(=O)N2CCCc3ccccc32)C1=O.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one?
The InChIKey is ZGTUERPIZYAZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-19-11-9-18-14(17(19)22)12-16(21)20-10-5-7-13-6-3-4-8-15(13)20/h3-4,6,8,14,18H,2,5,7,9-12H2,1H3.
What are the key properties of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one?
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one is sourced from PubChem (CID 110282575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).