ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate

C18H23N3O4 — CID 13136738

IUPACethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C18H23N3O4/c1-2-25-18(24)21-9-7-20(8-10-21)12-16(22)14-3-5-15-13(11-14)4-6-17(23)19-15/h3,5,11H,2,4,6-10,12H2,1H3,(H,19,23)
InChIKeyIEGVOJPAGPXKKV-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.53
Rot. Bonds4

About ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate

ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate (PubChem CID 13136738) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
PubChem CID13136738
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nameethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C18H23N3O4/c1-2-25-18(24)21-9-7-20(8-10-21)12-16(22)14-3-5-15-13(11-14)4-6-17(23)19-15/h3,5,11H,2,4,6-10,12H2,1H3,(H,19,23)
InChIKeyIEGVOJPAGPXKKV-UHFFFAOYSA-N
XLogP1.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
CID 13136739
tert-butyl 4-[(2Z)-2-hydrazinylidene-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
CID 75366588
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
ethyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368868
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
6-(3-amino-3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915723
2-[4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151766
ethyl 4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate
CID 46282016
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 9118621

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate (CID 13136738) is ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is IEGVOJPAGPXKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-25-18(24)21-9-7-20(8-10-21)12-16(22)14-3-5-15-13(11-14)4-6-17(23)19-15/h3,5,11H,2,4,6-10,12H2,1H3,(H,19,23).
What are the key properties of ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 13136738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).