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

C21H19N3O — CID 133379557

IUPAC4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
SMILESCC1(c2ccccc2)CN(c2cc(C#N)nc3ccccc23)CCO1
InChIInChI=1S/C21H19N3O/c1-21(16-7-3-2-4-8-16)15-24(11-12-25-21)20-13-17(14-22)23-19-10-6-5-9-18(19)20/h2-10,13H,11-12,15H2,1H3
InChIKeyHNMWJDMRUFWRCI-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.86
Rot. Bonds2

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

4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile (PubChem CID 133379557) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
PubChem CID133379557
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile
SMILESCC1(c2ccccc2)CN(c2cc(C#N)nc3ccccc23)CCO1
InChIInChI=1S/C21H19N3O/c1-21(16-7-3-2-4-8-16)15-24(11-12-25-21)20-13-17(14-22)23-19-10-6-5-9-18(19)20/h2-10,13H,11-12,15H2,1H3
InChIKeyHNMWJDMRUFWRCI-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

Analyze 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile?
The IUPAC name of 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile (CID 133379557) is 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile.
What is the SMILES notation for 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile?
The canonical SMILES for 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile is CC1(c2ccccc2)CN(c2cc(C#N)nc3ccccc23)CCO1.
What is the InChIKey of 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile?
The InChIKey is HNMWJDMRUFWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-21(16-7-3-2-4-8-16)15-24(11-12-25-21)20-13-17(14-22)23-19-10-6-5-9-18(19)20/h2-10,13H,11-12,15H2,1H3.
What are the key properties of 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile?
4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-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 4-(2-methyl-2-phenylmorpholin-4-yl)quinoline-2-carbonitrile is sourced from PubChem (CID 133379557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).