4-cinnolin-4-ylmorpholine

C12H13N3O — CID 12027114

IUPAC4-cinnolin-4-ylmorpholine
SMILESc1ccc2c(N3CCOCC3)cnnc2c1
InChIInChI=1S/C12H13N3O/c1-2-4-11-10(3-1)12(9-13-14-11)15-5-7-16-8-6-15/h1-4,9H,5-8H2
InChIKeyCLTAPFLVWHZEAM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.47
Rot. Bonds1

About 4-cinnolin-4-ylmorpholine

4-cinnolin-4-ylmorpholine (PubChem CID 12027114) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-cinnolin-4-ylmorpholine.

Molecular Properties

Compound Name4-cinnolin-4-ylmorpholine
PubChem CID12027114
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-cinnolin-4-ylmorpholine
SMILESc1ccc2c(N3CCOCC3)cnnc2c1
InChIInChI=1S/C12H13N3O/c1-2-4-11-10(3-1)12(9-13-14-11)15-5-7-16-8-6-15/h1-4,9H,5-8H2
InChIKeyCLTAPFLVWHZEAM-UHFFFAOYSA-N
XLogP1.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cinnolin-4-ylmorpholine?
The IUPAC name of 4-cinnolin-4-ylmorpholine (CID 12027114) is 4-cinnolin-4-ylmorpholine.
What is the SMILES notation for 4-cinnolin-4-ylmorpholine?
The canonical SMILES for 4-cinnolin-4-ylmorpholine is c1ccc2c(N3CCOCC3)cnnc2c1.
What is the InChIKey of 4-cinnolin-4-ylmorpholine?
The InChIKey is CLTAPFLVWHZEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-4-11-10(3-1)12(9-13-14-11)15-5-7-16-8-6-15/h1-4,9H,5-8H2.
What are the key properties of 4-cinnolin-4-ylmorpholine?
4-cinnolin-4-ylmorpholine has a molecular weight of 215.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cinnolin-4-ylmorpholine is sourced from PubChem (CID 12027114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).