ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate

C16H18N2O4 — CID 779668

IUPACethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H18N2O4/c1-2-22-16(20)13-14(18-7-9-21-10-8-18)11-5-3-4-6-12(11)17-15(13)19/h3-6H,2,7-10H2,1H3,(H,17,19)
InChIKeyZPAXEDVFCYYASM-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.54
Rot. Bonds3

About ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 779668) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
PubChem CID779668
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCOCC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H18N2O4/c1-2-22-16(20)13-14(18-7-9-21-10-8-18)11-5-3-4-6-12(11)17-15(13)19/h3-6H,2,7-10H2,1H3,(H,17,19)
InChIKeyZPAXEDVFCYYASM-UHFFFAOYSA-N
XLogP1.54
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 70596773
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate
CID 71490363
ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate
CID 54695401
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126
ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844

Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate (CID 779668) is ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(N2CCOCC2)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is ZPAXEDVFCYYASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-22-16(20)13-14(18-7-9-21-10-8-18)11-5-3-4-6-12(11)17-15(13)19/h3-6H,2,7-10H2,1H3,(H,17,19).
What are the key properties of ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 779668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).