2-quinolin-2-yloxane-3-carboxylic acid

C15H15NO3 — CID 79367752

IUPAC2-quinolin-2-yloxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1c1ccc2ccccc2n1
InChIInChI=1S/C15H15NO3/c17-15(18)11-5-3-9-19-14(11)13-8-7-10-4-1-2-6-12(10)16-13/h1-2,4,6-8,11,14H,3,5,9H2,(H,17,18)
InChIKeyJFWHDMBWJXEBDJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.79
Rot. Bonds2

About 2-quinolin-2-yloxane-3-carboxylic acid

2-quinolin-2-yloxane-3-carboxylic acid (PubChem CID 79367752) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-quinolin-2-yloxane-3-carboxylic acid.

Molecular Properties

Compound Name2-quinolin-2-yloxane-3-carboxylic acid
PubChem CID79367752
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-quinolin-2-yloxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1c1ccc2ccccc2n1
InChIInChI=1S/C15H15NO3/c17-15(18)11-5-3-9-19-14(11)13-8-7-10-4-1-2-6-12(10)16-13/h1-2,4,6-8,11,14H,3,5,9H2,(H,17,18)
InChIKeyJFWHDMBWJXEBDJ-UHFFFAOYSA-N
XLogP2.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-2-yloxane-3-carbonitrile
CID 79368028
2-pyrimidin-4-yloxane-3-carboxylic acid
CID 79368792
2-quinolin-8-yloxane-3-carboxylic acid
CID 79368125
2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
(2R,3R)-2-(4-bromophenyl)oxane-3-carboxylic acid
CID 67311252
2-(quinoline-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814765
2-(3-methyloxiran-2-yl)quinoline
CID 10330043
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 164698384
anthracene;cyclohexane-1,2-dicarboxylic acid
CID 160819171
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxylic acid
CID 124710177
N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide
CID 42789365

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yloxane-3-carboxylic acid?
The IUPAC name of 2-quinolin-2-yloxane-3-carboxylic acid (CID 79367752) is 2-quinolin-2-yloxane-3-carboxylic acid.
What is the SMILES notation for 2-quinolin-2-yloxane-3-carboxylic acid?
The canonical SMILES for 2-quinolin-2-yloxane-3-carboxylic acid is O=C(O)C1CCCOC1c1ccc2ccccc2n1.
What is the InChIKey of 2-quinolin-2-yloxane-3-carboxylic acid?
The InChIKey is JFWHDMBWJXEBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)11-5-3-9-19-14(11)13-8-7-10-4-1-2-6-12(10)16-13/h1-2,4,6-8,11,14H,3,5,9H2,(H,17,18).
What are the key properties of 2-quinolin-2-yloxane-3-carboxylic acid?
2-quinolin-2-yloxane-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yloxane-3-carboxylic acid is sourced from PubChem (CID 79367752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).