6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid

C15H16N2O3 — CID 164532574

IUPAC6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CC[C@@H](CO)C3)cc12
InChIInChI=1S/C15H16N2O3/c18-9-10-4-6-17(8-10)11-1-2-14-13(7-11)12(15(19)20)3-5-16-14/h1-3,5,7,10,18H,4,6,8-9H2,(H,19,20)/t10-/m1/s1
InChIKeyYLKSJPJLGLCTTB-SNVBAGLBSA-N
MW272.30 g/mol
LogP1.75
Rot. Bonds3

About 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid

6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid (PubChem CID 164532574) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid
PubChem CID164532574
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CC[C@@H](CO)C3)cc12
InChIInChI=1S/C15H16N2O3/c18-9-10-4-6-17(8-10)11-1-2-14-13(7-11)12(15(19)20)3-5-16-14/h1-3,5,7,10,18H,4,6,8-9H2,(H,19,20)/t10-/m1/s1
InChIKeyYLKSJPJLGLCTTB-SNVBAGLBSA-N
XLogP1.75
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride
CID 175744986
6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid
CID 164533157
6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid
CID 164532604
6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 175477073
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
CID 129413791
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
CID 164532677
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
CID 66978033
6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid
CID 167118395
[1-(1,3-benzothiazol-6-yl)pyrrolidin-3-yl]methanol
CID 107806610
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid (CID 164532574) is 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(N3CC[C@@H](CO)C3)cc12.
What is the InChIKey of 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid?
The InChIKey is YLKSJPJLGLCTTB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-9-10-4-6-17(8-10)11-1-2-14-13(7-11)12(15(19)20)3-5-16-14/h1-3,5,7,10,18H,4,6,8-9H2,(H,19,20)/t10-/m1/s1.
What are the key properties of 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid?
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 164532574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).