3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid

C13H13N3O3 — CID 167830102

IUPAC3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2nc1NC1CCOC1
InChIInChI=1S/C13H13N3O3/c17-13(18)11-12(14-8-5-6-19-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7H2,(H,14,16)(H,17,18)
InChIKeyMEYDICADKDFFIO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.53
Rot. Bonds3

About 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid

3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid (PubChem CID 167830102) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid
PubChem CID167830102
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2nc1NC1CCOC1
InChIInChI=1S/C13H13N3O3/c17-13(18)11-12(14-8-5-6-19-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7H2,(H,14,16)(H,17,18)
InChIKeyMEYDICADKDFFIO-UHFFFAOYSA-N
XLogP1.53
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
CID 80853828
2-[[(3S)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 139960156
2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
CID 80829880
5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 167971128
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
CID 30177987
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099
N-[(3S)-oxolan-3-yl]-2,2-diphenylacetamide
CID 96601820
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
2-hydrazinyl-N-(oxolan-3-yl)quinoline-4-carboxamide
CID 80714740
3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine
CID 133438561
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
3-(2-bromoanilino)quinoxaline-2-carboxylic acid
CID 134093869

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid?
The IUPAC name of 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid (CID 167830102) is 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid.
What is the SMILES notation for 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid?
The canonical SMILES for 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid is O=C(O)c1nc2ccccc2nc1NC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid?
The InChIKey is MEYDICADKDFFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-13(18)11-12(14-8-5-6-19-7-8)16-10-4-2-1-3-9(10)15-11/h1-4,8H,5-7H2,(H,14,16)(H,17,18).
What are the key properties of 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid?
3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid is sourced from PubChem (CID 167830102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).