[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate

C18H13NO5 — CID 2082794

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(O[C@@H]1CCOC1=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H13NO5/c20-17(24-16-7-9-23-18(16)21)12-10-14(15-6-3-8-22-15)19-13-5-2-1-4-11(12)13/h1-6,8,10,16H,7,9H2/t16-/m1/s1
InChIKeyUOTBLQAJZXELKJ-MRXNPFEDSA-N
MW323.30 g/mol
LogP2.97
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate

[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2082794) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2082794
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(O[C@@H]1CCOC1=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H13NO5/c20-17(24-16-7-9-23-18(16)21)12-10-14(15-6-3-8-22-15)19-13-5-2-1-4-11(12)13/h1-6,8,10,16H,7,9H2/t16-/m1/s1
InChIKeyUOTBLQAJZXELKJ-MRXNPFEDSA-N
XLogP2.97
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxooxolan-3-yl) 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 3877730
[(3S)-2-oxooxolan-3-yl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 7395314
[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132382
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8651884
[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395376

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2082794) is [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate is O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is UOTBLQAJZXELKJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H13NO5/c20-17(24-16-7-9-23-18(16)21)12-10-14(15-6-3-8-22-15)19-13-5-2-1-4-11(12)13/h1-6,8,10,16H,7,9H2/t16-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
[(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 323.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2082794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).