(2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate

C15H15NO4 — CID 665765

IUPAC(2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)C1CCCO1
InChIInChI=1S/C15H15NO4/c17-14-11(8-10-4-1-2-5-12(10)16-14)9-20-15(18)13-6-3-7-19-13/h1-2,4-5,8,13H,3,6-7,9H2,(H,16,17)
InChIKeyUZMSDTBAZQELBO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.75
Rot. Bonds3

About (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate

(2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate (PubChem CID 665765) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
PubChem CID665765
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)C1CCCO1
InChIInChI=1S/C15H15NO4/c17-14-11(8-10-4-1-2-5-12(10)16-14)9-20-15(18)13-6-3-7-19-13/h1-2,4-5,8,13H,3,6-7,9H2,(H,16,17)
InChIKeyUZMSDTBAZQELBO-UHFFFAOYSA-N
XLogP1.75
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945916
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 665140
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 664764
(7-Methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl tetrahydrofuran-2-carboxylate
CID 4919858
(2-Hydroxyquinolin-3-yl)methyl acetate
CID 940702
[1-(2-Methylanilino)-1-oxopropan-2-yl] oxolane-2-carboxylate
CID 42903463
2-methoxyethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 137439125
3-(1,4-dioxan-2-yl)-1H-quinolin-2-one
CID 166439449
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (2S)-oxolane-2-carboxylate
CID 8176104
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (2R)-oxolane-2-carboxylate
CID 8176105
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl butanoate
CID 940888
(2-oxo-1H-quinolin-3-yl)methyl propanoate
CID 941295

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate (CID 665765) is (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate is O=C(OCc1cc2ccccc2[nH]c1=O)C1CCCO1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
The InChIKey is UZMSDTBAZQELBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-14-11(8-10-4-1-2-5-12(10)16-14)9-20-15(18)13-6-3-7-19-13/h1-2,4-5,8,13H,3,6-7,9H2,(H,16,17).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate?
(2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate is sourced from PubChem (CID 665765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).