4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile

C22H22N4O — CID 133318713

IUPAC4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
SMILESN#Cc1cc(NCc2cccc(CN3CCOCC3)c2)c2ccccc2n1
InChIInChI=1S/C22H22N4O/c23-14-19-13-22(20-6-1-2-7-21(20)25-19)24-15-17-4-3-5-18(12-17)16-26-8-10-27-11-9-26/h1-7,12-13H,8-11,15-16H2,(H,24,25)
InChIKeyOIJUFLIUUGYIOD-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.55
Rot. Bonds5

About 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile

4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile (PubChem CID 133318713) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
PubChem CID133318713
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
SMILESN#Cc1cc(NCc2cccc(CN3CCOCC3)c2)c2ccccc2n1
InChIInChI=1S/C22H22N4O/c23-14-19-13-22(20-6-1-2-7-21(20)25-19)24-15-17-4-3-5-18(12-17)16-26-8-10-27-11-9-26/h1-7,12-13H,8-11,15-16H2,(H,24,25)
InChIKeyOIJUFLIUUGYIOD-UHFFFAOYSA-N
XLogP3.55
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile?
The IUPAC name of 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile (CID 133318713) is 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile is N#Cc1cc(NCc2cccc(CN3CCOCC3)c2)c2ccccc2n1.
What is the InChIKey of 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile?
The InChIKey is OIJUFLIUUGYIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-14-19-13-22(20-6-1-2-7-21(20)25-19)24-15-17-4-3-5-18(12-17)16-26-8-10-27-11-9-26/h1-7,12-13H,8-11,15-16H2,(H,24,25).
What are the key properties of 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile?
4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile is sourced from PubChem (CID 133318713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).