4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile

C15H12N4O — CID 79033910

IUPAC4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCOC(C#N)C1
InChIInChI=1S/C15H12N4O/c16-7-11-9-18-14-4-2-1-3-13(14)15(11)19-5-6-20-12(8-17)10-19/h1-4,9,12H,5-6,10H2
InChIKeyFGUDAHSUAQVCNB-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.84
Rot. Bonds1

About 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile

4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile (PubChem CID 79033910) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
PubChem CID79033910
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCOC(C#N)C1
InChIInChI=1S/C15H12N4O/c16-7-11-9-18-14-4-2-1-3-13(14)15(11)19-5-6-20-12(8-17)10-19/h1-4,9,12H,5-6,10H2
InChIKeyFGUDAHSUAQVCNB-UHFFFAOYSA-N
XLogP1.84
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile (CID 79033910) is 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile is N#Cc1cnc2ccccc2c1N1CCOC(C#N)C1.
What is the InChIKey of 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile?
The InChIKey is FGUDAHSUAQVCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-7-11-9-18-14-4-2-1-3-13(14)15(11)19-5-6-20-12(8-17)10-19/h1-4,9,12H,5-6,10H2.
What are the key properties of 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile?
4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 79033910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).