4-cinnolin-4-yloxy-2-fluoroaniline

C14H10FN3O — CID 63588081

IUPAC4-cinnolin-4-yloxy-2-fluoroaniline
SMILESNc1ccc(Oc2cnnc3ccccc23)cc1F
InChIInChI=1S/C14H10FN3O/c15-11-7-9(5-6-12(11)16)19-14-8-17-18-13-4-2-1-3-10(13)14/h1-8H,16H2
InChIKeyQSZBIIRLAAPMTO-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.14
Rot. Bonds2

About 4-cinnolin-4-yloxy-2-fluoroaniline

4-cinnolin-4-yloxy-2-fluoroaniline (PubChem CID 63588081) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-cinnolin-4-yloxy-2-fluoroaniline.

Molecular Properties

Compound Name4-cinnolin-4-yloxy-2-fluoroaniline
PubChem CID63588081
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name4-cinnolin-4-yloxy-2-fluoroaniline
SMILESNc1ccc(Oc2cnnc3ccccc23)cc1F
InChIInChI=1S/C14H10FN3O/c15-11-7-9(5-6-12(11)16)19-14-8-17-18-13-4-2-1-3-10(13)14/h1-8H,16H2
InChIKeyQSZBIIRLAAPMTO-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cinnolin-4-yloxy-2-fluoroaniline?
The IUPAC name of 4-cinnolin-4-yloxy-2-fluoroaniline (CID 63588081) is 4-cinnolin-4-yloxy-2-fluoroaniline.
What is the SMILES notation for 4-cinnolin-4-yloxy-2-fluoroaniline?
The canonical SMILES for 4-cinnolin-4-yloxy-2-fluoroaniline is Nc1ccc(Oc2cnnc3ccccc23)cc1F.
What is the InChIKey of 4-cinnolin-4-yloxy-2-fluoroaniline?
The InChIKey is QSZBIIRLAAPMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-7-9(5-6-12(11)16)19-14-8-17-18-13-4-2-1-3-10(13)14/h1-8H,16H2.
What are the key properties of 4-cinnolin-4-yloxy-2-fluoroaniline?
4-cinnolin-4-yloxy-2-fluoroaniline has a molecular weight of 255.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cinnolin-4-yloxy-2-fluoroaniline is sourced from PubChem (CID 63588081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).