methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate

C19H27N3O3 — CID 95637304

IUPACmethyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C19H27N3O3/c1-15(19(24)25-2)21-12-10-20(11-13-21)14-18(23)22-9-5-7-16-6-3-4-8-17(16)22/h3-4,6,8,15H,5,7,9-14H2,1-2H3/t15-/m0/s1
InChIKeyQVGPRESXVSHYPQ-HNNXBMFYSA-N
MW345.44 g/mol
LogP1.14
Rot. Bonds4

About methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate

methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate (PubChem CID 95637304) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
PubChem CID95637304
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namemethyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C19H27N3O3/c1-15(19(24)25-2)21-12-10-20(11-13-21)14-18(23)22-9-5-7-16-6-3-4-8-17(16)22/h3-4,6,8,15H,5,7,9-14H2,1-2H3/t15-/m0/s1
InChIKeyQVGPRESXVSHYPQ-HNNXBMFYSA-N
XLogP1.14
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 51271595
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]pentan-1-one
CID 120565523
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 167795198
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 86923494
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 87017413
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 126788015
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119925626

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate (CID 95637304) is methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate is COC(=O)[C@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate?
The InChIKey is QVGPRESXVSHYPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15(19(24)25-2)21-12-10-20(11-13-21)14-18(23)22-9-5-7-16-6-3-4-8-17(16)22/h3-4,6,8,15H,5,7,9-14H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate?
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate has a molecular weight of 345.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 95637304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).