1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone

C15H16N2O2 — CID 116579737

IUPAC1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone
SMILESNC1(C(=O)Cc2ccc3ccccc3n2)CCOC1
InChIInChI=1S/C15H16N2O2/c16-15(7-8-19-10-15)14(18)9-12-6-5-11-3-1-2-4-13(11)17-12/h1-6H,7-10,16H2
InChIKeyZWQQTNHLWVWOAE-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.46
Rot. Bonds3

About 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone

1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone (PubChem CID 116579737) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone
PubChem CID116579737
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone
SMILESNC1(C(=O)Cc2ccc3ccccc3n2)CCOC1
InChIInChI=1S/C15H16N2O2/c16-15(7-8-19-10-15)14(18)9-12-6-5-11-3-1-2-4-13(11)17-12/h1-6H,7-10,16H2
InChIKeyZWQQTNHLWVWOAE-UHFFFAOYSA-N
XLogP1.46
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone (CID 116579737) is 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone is NC1(C(=O)Cc2ccc3ccccc3n2)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone?
The InChIKey is ZWQQTNHLWVWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-15(7-8-19-10-15)14(18)9-12-6-5-11-3-1-2-4-13(11)17-12/h1-6H,7-10,16H2.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone?
1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone has a molecular weight of 256.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone is sourced from PubChem (CID 116579737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).