2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid

C15H16N2O3 — CID 82728278

IUPAC2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
SMILESCC1OCCC1Nc1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H16N2O3/c1-9-12(7-8-20-9)16-14-6-5-10-11(15(18)19)3-2-4-13(10)17-14/h2-6,9,12H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyWOFMRYFVLXYHJM-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.52
Rot. Bonds3

About 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid

2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid (PubChem CID 82728278) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
PubChem CID82728278
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
SMILESCC1OCCC1Nc1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H16N2O3/c1-9-12(7-8-20-9)16-14-6-5-10-11(15(18)19)3-2-4-13(10)17-14/h2-6,9,12H,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyWOFMRYFVLXYHJM-UHFFFAOYSA-N
XLogP2.52
TPSA71.45 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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
CID 114546973
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid
CID 80715673
2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
CID 106361777
2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
CID 82725051
1-[2-(cyclopropylamino)quinolin-5-yl]ethanone
CID 70964841
6-fluoro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-2-amine
CID 130608593
6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82737181
5-methyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 82728713
2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid
CID 174843899
4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid
CID 82729142
3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 105382560
2-bromoquinoline-5-carboxylic acid
CID 174440420

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid?
The IUPAC name of 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid (CID 82728278) is 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid is CC1OCCC1Nc1ccc2c(C(=O)O)cccc2n1.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid?
The InChIKey is WOFMRYFVLXYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-12(7-8-20-9)16-14-6-5-10-11(15(18)19)3-2-4-13(10)17-14/h2-6,9,12H,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid?
2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid is sourced from PubChem (CID 82728278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).