2-quinolin-8-yloxane-3-carboxylic acid

C15H15NO3 — CID 79368125

IUPAC2-quinolin-8-yloxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1c1cccc2cccnc12
InChIInChI=1S/C15H15NO3/c17-15(18)12-7-3-9-19-14(12)11-6-1-4-10-5-2-8-16-13(10)11/h1-2,4-6,8,12,14H,3,7,9H2,(H,17,18)
InChIKeyHGZIIQVPPWRMEU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.79
Rot. Bonds2

About 2-quinolin-8-yloxane-3-carboxylic acid

2-quinolin-8-yloxane-3-carboxylic acid (PubChem CID 79368125) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-quinolin-8-yloxane-3-carboxylic acid.

Molecular Properties

Compound Name2-quinolin-8-yloxane-3-carboxylic acid
PubChem CID79368125
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-quinolin-8-yloxane-3-carboxylic acid
SMILESO=C(O)C1CCCOC1c1cccc2cccnc12
InChIInChI=1S/C15H15NO3/c17-15(18)12-7-3-9-19-14(12)11-6-1-4-10-5-2-8-16-13(10)11/h1-2,4-6,8,12,14H,3,7,9H2,(H,17,18)
InChIKeyHGZIIQVPPWRMEU-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

N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine
CID 79370953
2-pyrimidin-4-yloxane-3-carboxylic acid
CID 79368792
2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
CID 120533028
2-quinolin-2-yloxane-3-carboxylic acid
CID 79367752
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
8-cyclopropylquinoline
CID 66823369
(2R,3R)-2-(4-bromophenyl)oxane-3-carboxylic acid
CID 67311252
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
2-methyl-N-[(2-quinolin-8-yloxolan-3-yl)methyl]propan-2-amine
CID 79370305
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxylic acid
CID 124710177
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide
CID 132578532

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yloxane-3-carboxylic acid?
The IUPAC name of 2-quinolin-8-yloxane-3-carboxylic acid (CID 79368125) is 2-quinolin-8-yloxane-3-carboxylic acid.
What is the SMILES notation for 2-quinolin-8-yloxane-3-carboxylic acid?
The canonical SMILES for 2-quinolin-8-yloxane-3-carboxylic acid is O=C(O)C1CCCOC1c1cccc2cccnc12.
What is the InChIKey of 2-quinolin-8-yloxane-3-carboxylic acid?
The InChIKey is HGZIIQVPPWRMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)12-7-3-9-19-14(12)11-6-1-4-10-5-2-8-16-13(10)11/h1-2,4-6,8,12,14H,3,7,9H2,(H,17,18).
What are the key properties of 2-quinolin-8-yloxane-3-carboxylic acid?
2-quinolin-8-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-8-yloxane-3-carboxylic acid is sourced from PubChem (CID 79368125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).