(2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate

C18H13NO5 — CID 3962062

IUPAC(2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OC1CCOC1=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
InChIKeyUOTBLQAJZXELKJ-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.97
Rot. Bonds3

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

(2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 3962062) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID3962062
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name(2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OC1CCOC1=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
InChIKeyUOTBLQAJZXELKJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate (CID 3962062) is (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate is O=C(OC1CCOC1=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is UOTBLQAJZXELKJ-UHFFFAOYSA-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.
What are the key properties of (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate?
(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 (2-oxooxolan-3-yl) 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 3962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).