ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate

C20H20N2O4 — CID 133347314

IUPACethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCOC(c2ccco2)C1
InChIInChI=1S/C20H20N2O4/c1-2-24-20(23)15-12-21-16-7-4-3-6-14(16)19(15)22-9-11-26-18(13-22)17-8-5-10-25-17/h3-8,10,12,18H,2,9,11,13H2,1H3
InChIKeyBMKLDGAVESTCFG-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.58
Rot. Bonds4

About ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate

ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate (PubChem CID 133347314) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate
PubChem CID133347314
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCOC(c2ccco2)C1
InChIInChI=1S/C20H20N2O4/c1-2-24-20(23)15-12-21-16-7-4-3-6-14(16)19(15)22-9-11-26-18(13-22)17-8-5-10-25-17/h3-8,10,12,18H,2,9,11,13H2,1H3
InChIKeyBMKLDGAVESTCFG-UHFFFAOYSA-N
XLogP3.58
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(furan-2-yl)morpholin-4-yl]-4-methylquinoline-3-carboxylate
CID 133347254
ethyl 4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]quinoline-3-carboxylate
CID 56861128
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 3-fluoro-2-[2-(furan-2-yl)morpholin-4-yl]-5-nitrobenzoate
CID 133347272
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate
CID 133369054
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate
CID 49428479
ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
CID 133368783
ethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133305532

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate (CID 133347314) is ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1N1CCOC(c2ccco2)C1.
What is the InChIKey of ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate?
The InChIKey is BMKLDGAVESTCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-24-20(23)15-12-21-16-7-4-3-6-14(16)19(15)22-9-11-26-18(13-22)17-8-5-10-25-17/h3-8,10,12,18H,2,9,11,13H2,1H3.
What are the key properties of ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate?
ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(furan-2-yl)morpholin-4-yl]quinoline-3-carboxylate is sourced from PubChem (CID 133347314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).