4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile

C14H14N4O — CID 103138674

IUPAC4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccc(N)c3ccncc23)CCO1
InChIInChI=1S/C14H14N4O/c15-7-10-9-18(5-6-19-10)14-2-1-13(16)11-3-4-17-8-12(11)14/h1-4,8,10H,5-6,9,16H2
InChIKeyRLIGDJJCPOXFEO-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.55
Rot. Bonds1

About 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile

4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile (PubChem CID 103138674) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
PubChem CID103138674
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccc(N)c3ccncc23)CCO1
InChIInChI=1S/C14H14N4O/c15-7-10-9-18(5-6-19-10)14-2-1-13(16)11-3-4-17-8-12(11)14/h1-4,8,10H,5-6,9,16H2
InChIKeyRLIGDJJCPOXFEO-UHFFFAOYSA-N
XLogP1.55
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile (CID 103138674) is 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile is N#CC1CN(c2ccc(N)c3ccncc23)CCO1.
What is the InChIKey of 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile?
The InChIKey is RLIGDJJCPOXFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-7-10-9-18(5-6-19-10)14-2-1-13(16)11-3-4-17-8-12(11)14/h1-4,8,10H,5-6,9,16H2.
What are the key properties of 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile?
4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminoisoquinolin-8-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 103138674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).