2-morpholin-4-ylquinoline-4-carbonitrile

C14H13N3O — CID 764701

IUPAC2-morpholin-4-ylquinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C14H13N3O/c15-10-11-9-14(17-5-7-18-8-6-17)16-13-4-2-1-3-12(11)13/h1-4,9H,5-8H2
InChIKeyFZQHJDATHGLUFA-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.94
Rot. Bonds1

About 2-morpholin-4-ylquinoline-4-carbonitrile

2-morpholin-4-ylquinoline-4-carbonitrile (PubChem CID 764701) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-morpholin-4-ylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-ylquinoline-4-carbonitrile
PubChem CID764701
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-morpholin-4-ylquinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C14H13N3O/c15-10-11-9-14(17-5-7-18-8-6-17)16-13-4-2-1-3-12(11)13/h1-4,9H,5-8H2
InChIKeyFZQHJDATHGLUFA-UHFFFAOYSA-N
XLogP1.94
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylquinoline-4-carbonitrile?
The IUPAC name of 2-morpholin-4-ylquinoline-4-carbonitrile (CID 764701) is 2-morpholin-4-ylquinoline-4-carbonitrile.
What is the SMILES notation for 2-morpholin-4-ylquinoline-4-carbonitrile?
The canonical SMILES for 2-morpholin-4-ylquinoline-4-carbonitrile is N#Cc1cc(N2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-morpholin-4-ylquinoline-4-carbonitrile?
The InChIKey is FZQHJDATHGLUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-10-11-9-14(17-5-7-18-8-6-17)16-13-4-2-1-3-12(11)13/h1-4,9H,5-8H2.
What are the key properties of 2-morpholin-4-ylquinoline-4-carbonitrile?
2-morpholin-4-ylquinoline-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylquinoline-4-carbonitrile is sourced from PubChem (CID 764701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).