ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate

C19H23N3O5 — CID 3238108

IUPACethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C19H23N3O5/c1-3-26-19(25)22-10-8-21(9-11-22)18(24)13-27-16-12-17(23)20(2)15-7-5-4-6-14(15)16/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyZUILNSXTIWTQSH-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.22
Rot. Bonds4

About ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate

ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate (PubChem CID 3238108) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate
PubChem CID3238108
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nameethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C19H23N3O5/c1-3-26-19(25)22-10-8-21(9-11-22)18(24)13-27-16-12-17(23)20(2)15-7-5-4-6-14(15)16/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyZUILNSXTIWTQSH-UHFFFAOYSA-N
XLogP1.22
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

2-Methyl-6-propyl-4,6-dihydro-2H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
CID 615579
(+)-2,6-Dihydro-2,6-dimethyl-2-(4-methyl-3-penten-1-yl)-5H-pyrano[3,2-c]quinolin-5-one
CID 5315426
N-Methylschinifoline
CID 101652163
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
1-{4-[[2-(Diethylamino)ethyl](methyl)amino]phenyl}-4-(benzyloxy)-pyridin-2(1H)-one
CID 53318595
N-metilatanina
CID 15460082
N-Acetoxymethylflindersine
CID 11289552
Peroxysimulenoline
CID 101936038
VU0364289
CID 46865097
5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-7-yl diethylcarbamate
CID 738862
1,3-Dimethyl-2-oxo-1,2-dihydro-4-quinolinyl acetate
CID 1042710
N-(3-chlorophenyl)-N-ethyl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 3236055

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate (CID 3238108) is ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate?
The InChIKey is ZUILNSXTIWTQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-26-19(25)22-10-8-21(9-11-22)18(24)13-27-16-12-17(23)20(2)15-7-5-4-6-14(15)16/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate?
ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1-methyl-2-oxoquinolin-4-yl)oxyacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 3238108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).