N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine

C15H19N3O2 — CID 91760488

IUPACN-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine
SMILESCCO[C@@H]1COCC[C@H]1Nc1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-10-19-8-7-13(14)18-15-9-16-11-5-3-4-6-12(11)17-15/h3-6,9,13-14H,2,7-8,10H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyPNIDBQVGLWGUJK-ZIAGYGMSSA-N
MW273.34 g/mol
LogP2.24
Rot. Bonds4

About N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine

N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine (PubChem CID 91760488) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine
PubChem CID91760488
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine
SMILESCCO[C@@H]1COCC[C@H]1Nc1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-10-19-8-7-13(14)18-15-9-16-11-5-3-4-6-12(11)17-15/h3-6,9,13-14H,2,7-8,10H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyPNIDBQVGLWGUJK-ZIAGYGMSSA-N
XLogP2.24
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine?
The IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine (CID 91760488) is N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine.
What is the SMILES notation for N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine?
The canonical SMILES for N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine is CCO[C@@H]1COCC[C@H]1Nc1cnc2ccccc2n1.
What is the InChIKey of N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine?
The InChIKey is PNIDBQVGLWGUJK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-14-10-19-8-7-13(14)18-15-9-16-11-5-3-4-6-12(11)17-15/h3-6,9,13-14H,2,7-8,10H2,1H3,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine?
N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-ethoxyoxan-4-yl]quinoxalin-2-amine is sourced from PubChem (CID 91760488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).