6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid

C14H13NO3 — CID 170633420

IUPAC6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc([C@H]3CCOC3)cc12
InChIInChI=1S/C14H13NO3/c16-14(17)11-3-5-15-13-2-1-9(7-12(11)13)10-4-6-18-8-10/h1-3,5,7,10H,4,6,8H2,(H,16,17)/t10-/m0/s1
InChIKeyQHJFQPICNXMBKO-JTQLQIEISA-N
MW243.26 g/mol
LogP2.44
Rot. Bonds2

About 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid

6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid (PubChem CID 170633420) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid
PubChem CID170633420
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc([C@H]3CCOC3)cc12
InChIInChI=1S/C14H13NO3/c16-14(17)11-3-5-15-13-2-1-9(7-12(11)13)10-4-6-18-8-10/h1-3,5,7,10H,4,6,8H2,(H,16,17)/t10-/m0/s1
InChIKeyQHJFQPICNXMBKO-JTQLQIEISA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 175960371
6-(2,2-dimethyloxan-4-yl)quinoline-4-carboxylic acid
CID 175960459
6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
CID 170633352
6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid
CID 175960431
7-cyclohexylquinoline-4-carboxylic acid
CID 138508053
3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582742
2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115036379
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
6-aminoquinoline-4-carboxylic acid;dihydrochloride
CID 171397441
2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115033808
2-oxo-2-[3-(oxolan-3-yl)phenyl]acetic acid
CID 117313843

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid (CID 170633420) is 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc([C@H]3CCOC3)cc12.
What is the InChIKey of 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid?
The InChIKey is QHJFQPICNXMBKO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)11-3-5-15-13-2-1-9(7-12(11)13)10-4-6-18-8-10/h1-3,5,7,10H,4,6,8H2,(H,16,17)/t10-/m0/s1.
What are the key properties of 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid?
6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 170633420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).