6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid

C14H14N2O3 — CID 164532677

IUPAC6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
SMILESCC1(O)CN(c2ccc3nccc(C(=O)O)c3c2)C1
InChIInChI=1S/C14H14N2O3/c1-14(19)7-16(8-14)9-2-3-12-11(6-9)10(13(17)18)4-5-15-12/h2-6,19H,7-8H2,1H3,(H,17,18)
InChIKeyYGHZAQXUDJDREC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.50
Rot. Bonds2

About 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid

6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid (PubChem CID 164532677) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
PubChem CID164532677
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
SMILESCC1(O)CN(c2ccc3nccc(C(=O)O)c3c2)C1
InChIInChI=1S/C14H14N2O3/c1-14(19)7-16(8-14)9-2-3-12-11(6-9)10(13(17)18)4-5-15-12/h2-6,19H,7-8H2,1H3,(H,17,18)
InChIKeyYGHZAQXUDJDREC-UHFFFAOYSA-N
XLogP1.50
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid (CID 164532677) is 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid is CC1(O)CN(c2ccc3nccc(C(=O)O)c3c2)C1.
What is the InChIKey of 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is YGHZAQXUDJDREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-14(19)7-16(8-14)9-2-3-12-11(6-9)10(13(17)18)4-5-15-12/h2-6,19H,7-8H2,1H3,(H,17,18).
What are the key properties of 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid?
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 164532677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).