4-cinnolin-4-yloxyaniline

C14H11N3O — CID 63586759

IUPAC4-cinnolin-4-yloxyaniline
SMILESNc1ccc(Oc2cnnc3ccccc23)cc1
InChIInChI=1S/C14H11N3O/c15-10-5-7-11(8-6-10)18-14-9-16-17-13-4-2-1-3-12(13)14/h1-9H,15H2
InChIKeyTUCJDAPTAUNZNJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.00
Rot. Bonds2

About 4-cinnolin-4-yloxyaniline

4-cinnolin-4-yloxyaniline (PubChem CID 63586759) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-cinnolin-4-yloxyaniline.

Molecular Properties

Compound Name4-cinnolin-4-yloxyaniline
PubChem CID63586759
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-cinnolin-4-yloxyaniline
SMILESNc1ccc(Oc2cnnc3ccccc23)cc1
InChIInChI=1S/C14H11N3O/c15-10-5-7-11(8-6-10)18-14-9-16-17-13-4-2-1-3-12(13)14/h1-9H,15H2
InChIKeyTUCJDAPTAUNZNJ-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cinnolin-4-yloxyaniline?
The IUPAC name of 4-cinnolin-4-yloxyaniline (CID 63586759) is 4-cinnolin-4-yloxyaniline.
What is the SMILES notation for 4-cinnolin-4-yloxyaniline?
The canonical SMILES for 4-cinnolin-4-yloxyaniline is Nc1ccc(Oc2cnnc3ccccc23)cc1.
What is the InChIKey of 4-cinnolin-4-yloxyaniline?
The InChIKey is TUCJDAPTAUNZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-10-5-7-11(8-6-10)18-14-9-16-17-13-4-2-1-3-12(13)14/h1-9H,15H2.
What are the key properties of 4-cinnolin-4-yloxyaniline?
4-cinnolin-4-yloxyaniline has a molecular weight of 237.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cinnolin-4-yloxyaniline is sourced from PubChem (CID 63586759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).