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

C15H15NO3 — CID 175960431

IUPAC6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(C[C@@H]3CCOC3)cc12
InChIInChI=1S/C15H15NO3/c17-15(18)12-3-5-16-14-2-1-10(8-13(12)14)7-11-4-6-19-9-11/h1-3,5,8,11H,4,6-7,9H2,(H,17,18)/t11-/m0/s1
InChIKeyCFIRXROKWQQRNH-NSHDSACASA-N
MW257.29 g/mol
LogP2.51
Rot. Bonds3

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

6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid (PubChem CID 175960431) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid
PubChem CID175960431
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(C[C@@H]3CCOC3)cc12
InChIInChI=1S/C15H15NO3/c17-15(18)12-3-5-16-14-2-1-10(8-13(12)14)7-11-4-6-19-9-11/h1-3,5,8,11H,4,6-7,9H2,(H,17,18)/t11-/m0/s1
InChIKeyCFIRXROKWQQRNH-NSHDSACASA-N
XLogP2.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid
CID 170633420
6-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 175960371
6-[(2R)-oxolan-2-yl]quinoline-4-carboxylic acid
CID 170633352
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid
CID 164532574
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride
CID 175744986
6-aminoquinoline-4-carboxylic acid;dihydrochloride
CID 171397441
6-(2,2-dimethyloxan-4-yl)quinoline-4-carboxylic acid
CID 175960459
4-cyclopropyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylic acid
CID 103987736
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 175477073
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid (CID 175960431) is 6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(C[C@@H]3CCOC3)cc12.
What is the InChIKey of 6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid?
The InChIKey is CFIRXROKWQQRNH-NSHDSACASA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(18)12-3-5-16-14-2-1-10(8-13(12)14)7-11-4-6-19-9-11/h1-3,5,8,11H,4,6-7,9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of 6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid?
6-[[(3R)-oxolan-3-yl]methyl]quinoline-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.51, 3 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]methyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 175960431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).