2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid

C13H13N3O2 — CID 165494382

IUPAC2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid
SMILESCC1CCN1c1ncc2c(C(=O)O)cccc2n1
InChIInChI=1S/C13H13N3O2/c1-8-5-6-16(8)13-14-7-10-9(12(17)18)3-2-4-11(10)15-13/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyZQTJQGPOUJLKFA-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.93
Rot. Bonds2

About 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid

2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid (PubChem CID 165494382) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid
PubChem CID165494382
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid
SMILESCC1CCN1c1ncc2c(C(=O)O)cccc2n1
InChIInChI=1S/C13H13N3O2/c1-8-5-6-16(8)13-14-7-10-9(12(17)18)3-2-4-11(10)15-13/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyZQTJQGPOUJLKFA-UHFFFAOYSA-N
XLogP1.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid?
The IUPAC name of 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid (CID 165494382) is 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid?
The canonical SMILES for 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid is CC1CCN1c1ncc2c(C(=O)O)cccc2n1.
What is the InChIKey of 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid?
The InChIKey is ZQTJQGPOUJLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-5-6-16(8)13-14-7-10-9(12(17)18)3-2-4-11(10)15-13/h2-4,7-8H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid?
2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid is sourced from PubChem (CID 165494382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).