ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate

C17H19N3O3 — CID 133345218

IUPACethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCNC(=O)C2)nc2ccccc2c1C
InChIInChI=1S/C17H19N3O3/c1-3-23-17(22)15-11(2)12-6-4-5-7-13(12)19-16(15)20-9-8-18-14(21)10-20/h4-7H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyZWRSUXHJVFHUSI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.66
Rot. Bonds3

About ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate

ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate (PubChem CID 133345218) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate
PubChem CID133345218
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCNC(=O)C2)nc2ccccc2c1C
InChIInChI=1S/C17H19N3O3/c1-3-23-17(22)15-11(2)12-6-4-5-7-13(12)19-16(15)20-9-8-18-14(21)10-20/h4-7H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyZWRSUXHJVFHUSI-UHFFFAOYSA-N
XLogP1.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-2-[(3-oxopiperazin-1-ium-1-yl)methyl]quinoline-3-carboxylate
CID 8962604
ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate
CID 133347254
2-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)amino]acetic acid
CID 122047294
benzyl 2-(4,4-difluoroazepan-1-yl)-4-methylquinoline-3-carboxylate
CID 169264201
ethyl 4-amino-3-(3-oxopiperazin-1-yl)benzoate
CID 82784881
ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
CID 9354471
ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 18191638
ethyl 2-[[2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 38400795
ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
CID 8020793
CID 89369738
CID 89369738
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
1-O-tert-butyl 4-O-[(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl] piperidine-1,4-dicarboxylate
CID 55392787

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate (CID 133345218) is ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate is CCOC(=O)c1c(N2CCNC(=O)C2)nc2ccccc2c1C.
What is the InChIKey of ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate?
The InChIKey is ZWRSUXHJVFHUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-23-17(22)15-11(2)12-6-4-5-7-13(12)19-16(15)20-9-8-18-14(21)10-20/h4-7H,3,8-10H2,1-2H3,(H,18,21).
What are the key properties of ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate?
ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(3-oxopiperazin-1-yl)quinoline-3-carboxylate is sourced from PubChem (CID 133345218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).