1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone

C16H18N2O2 — CID 116604768

IUPAC1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone
SMILESNC1(C(=O)Cc2ccc3ccccc3n2)CCOCC1
InChIInChI=1S/C16H18N2O2/c17-16(7-9-20-10-8-16)15(19)11-13-6-5-12-3-1-2-4-14(12)18-13/h1-6H,7-11,17H2
InChIKeyOIROXJDTNPVUIB-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone

1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone (PubChem CID 116604768) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone
PubChem CID116604768
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone
SMILESNC1(C(=O)Cc2ccc3ccccc3n2)CCOCC1
InChIInChI=1S/C16H18N2O2/c17-16(7-9-20-10-8-16)15(19)11-13-6-5-12-3-1-2-4-14(12)18-13/h1-6H,7-11,17H2
InChIKeyOIROXJDTNPVUIB-UHFFFAOYSA-N
XLogP1.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone?
The IUPAC name of 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone (CID 116604768) is 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone?
The canonical SMILES for 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone is NC1(C(=O)Cc2ccc3ccccc3n2)CCOCC1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone?
The InChIKey is OIROXJDTNPVUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16(7-9-20-10-8-16)15(19)11-13-6-5-12-3-1-2-4-14(12)18-13/h1-6H,7-11,17H2.
What are the key properties of 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone?
1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone has a molecular weight of 270.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone is sourced from PubChem (CID 116604768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).