5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile

C16H14F3N3O2 — CID 146316832

IUPAC5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile
SMILESN#Cc1ccc(N2C[C@@H](CO)O[C@@H](C(F)(F)F)C2)c2cccnc12
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)14-8-22(7-11(9-23)24-14)13-4-3-10(6-20)15-12(13)2-1-5-21-15/h1-5,11,14,23H,7-9H2/t11-,14+/m0/s1
InChIKeyQMMQHZOAJQVSFL-SMDDNHRTSA-N
MW337.30 g/mol
LogP2.23
Rot. Bonds2

About 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile

5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 146316832) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile
PubChem CID146316832
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile
SMILESN#Cc1ccc(N2C[C@@H](CO)O[C@@H](C(F)(F)F)C2)c2cccnc12
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)14-8-22(7-11(9-23)24-14)13-4-3-10(6-20)15-12(13)2-1-5-21-15/h1-5,11,14,23H,7-9H2/t11-,14+/m0/s1
InChIKeyQMMQHZOAJQVSFL-SMDDNHRTSA-N
XLogP2.23
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile (CID 146316832) is 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile is N#Cc1ccc(N2C[C@@H](CO)O[C@@H](C(F)(F)F)C2)c2cccnc12.
What is the InChIKey of 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is QMMQHZOAJQVSFL-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)14-8-22(7-11(9-23)24-14)13-4-3-10(6-20)15-12(13)2-1-5-21-15/h1-5,11,14,23H,7-9H2/t11-,14+/m0/s1.
What are the key properties of 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile?
5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 337.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2-(hydroxymethyl)-6-(trifluoromethyl)morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 146316832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).