2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile

C21H19N3O — CID 166196558

IUPAC2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
SMILESCC1(c2ccccc2)CN(c2ccc3cc(C#N)ccc3n2)CCO1
InChIInChI=1S/C21H19N3O/c1-21(18-5-3-2-4-6-18)15-24(11-12-25-21)20-10-8-17-13-16(14-22)7-9-19(17)23-20/h2-10,13H,11-12,15H2,1H3
InChIKeyYBGNYZMXTTUHLO-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.86
Rot. Bonds2

About 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile

2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile (PubChem CID 166196558) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
PubChem CID166196558
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
SMILESCC1(c2ccccc2)CN(c2ccc3cc(C#N)ccc3n2)CCO1
InChIInChI=1S/C21H19N3O/c1-21(18-5-3-2-4-6-18)15-24(11-12-25-21)20-10-8-17-13-16(14-22)7-9-19(17)23-20/h2-10,13H,11-12,15H2,1H3
InChIKeyYBGNYZMXTTUHLO-UHFFFAOYSA-N
XLogP3.86
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile?
The IUPAC name of 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile (CID 166196558) is 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile.
What is the SMILES notation for 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile?
The canonical SMILES for 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile is CC1(c2ccccc2)CN(c2ccc3cc(C#N)ccc3n2)CCO1.
What is the InChIKey of 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile?
The InChIKey is YBGNYZMXTTUHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-21(18-5-3-2-4-6-18)15-24(11-12-25-21)20-10-8-17-13-16(14-22)7-9-19(17)23-20/h2-10,13H,11-12,15H2,1H3.
What are the key properties of 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile?
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile has a molecular weight of 329.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile is sourced from PubChem (CID 166196558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).