6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid

C14H13NO3 — CID 170633352

IUPAC6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc([C@H]3CCCO3)cc12
InChIInChI=1S/C14H13NO3/c16-14(17)10-5-6-15-12-4-3-9(8-11(10)12)13-2-1-7-18-13/h3-6,8,13H,1-2,7H2,(H,16,17)/t13-/m1/s1
InChIKeyHSBVZRSUPSSPJK-CYBMUJFWSA-N
MW243.26 g/mol
LogP2.78
Rot. Bonds2

About 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid

6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid (PubChem CID 170633352) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
PubChem CID170633352
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc([C@H]3CCCO3)cc12
InChIInChI=1S/C14H13NO3/c16-14(17)10-5-6-15-12-4-3-9(8-11(10)12)13-2-1-7-18-13/h3-6,8,13H,1-2,7H2,(H,16,17)/t13-/m1/s1
InChIKeyHSBVZRSUPSSPJK-CYBMUJFWSA-N
XLogP2.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid (CID 170633352) is 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc([C@H]3CCCO3)cc12.
What is the InChIKey of 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid?
The InChIKey is HSBVZRSUPSSPJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)10-5-6-15-12-4-3-9(8-11(10)12)13-2-1-7-18-13/h3-6,8,13H,1-2,7H2,(H,16,17)/t13-/m1/s1.
What are the key properties of 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid?
6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 170633352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).