3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride

C18H24ClN3O2 — CID 110283062

IUPAC3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
SMILESC=CCN1CCNC(CC(=O)N2CCCc3ccccc32)C1=O.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-2-10-20-12-9-19-15(18(20)23)13-17(22)21-11-5-7-14-6-3-4-8-16(14)21;/h2-4,6,8,15,19H,1,5,7,9-13H2;1H
InChIKeyOKEMESJJPBTYAE-UHFFFAOYSA-N
MW349.86 g/mol
LogP1.76
Rot. Bonds4

About 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride (PubChem CID 110283062) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
PubChem CID110283062
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
SMILESC=CCN1CCNC(CC(=O)N2CCCc3ccccc32)C1=O.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-2-10-20-12-9-19-15(18(20)23)13-17(22)21-11-5-7-14-6-3-4-8-16(14)21;/h2-4,6,8,15,19H,1,5,7,9-13H2;1H
InChIKeyOKEMESJJPBTYAE-UHFFFAOYSA-N
XLogP1.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one
CID 110282575
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one
CID 110283738
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-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283038
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016
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
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
4-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrazolidine-3,5-dione
CID 110703723

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride?
The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride (CID 110283062) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride is C=CCN1CCNC(CC(=O)N2CCCc3ccccc32)C1=O.Cl.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride?
The InChIKey is OKEMESJJPBTYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-2-10-20-12-9-19-15(18(20)23)13-17(22)21-11-5-7-14-6-3-4-8-16(14)21;/h2-4,6,8,15,19H,1,5,7,9-13H2;1H.
What are the key properties of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride?
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 1.76, 4 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-prop-2-enylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 110283062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).