4-phenoxycinnolin-7-amine

C14H11N3O — CID 86018677

IUPAC4-phenoxycinnolin-7-amine
SMILESNc1ccc2c(Oc3ccccc3)cnnc2c1
InChIInChI=1S/C14H11N3O/c15-10-6-7-12-13(8-10)17-16-9-14(12)18-11-4-2-1-3-5-11/h1-9H,15H2
InChIKeyOWXQGUANGBJNNN-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.00
Rot. Bonds2

About 4-phenoxycinnolin-7-amine

4-phenoxycinnolin-7-amine (PubChem CID 86018677) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-phenoxycinnolin-7-amine.

Molecular Properties

Compound Name4-phenoxycinnolin-7-amine
PubChem CID86018677
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-phenoxycinnolin-7-amine
SMILESNc1ccc2c(Oc3ccccc3)cnnc2c1
InChIInChI=1S/C14H11N3O/c15-10-6-7-12-13(8-10)17-16-9-14(12)18-11-4-2-1-3-5-11/h1-9H,15H2
InChIKeyOWXQGUANGBJNNN-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxycinnolin-7-amine?
The IUPAC name of 4-phenoxycinnolin-7-amine (CID 86018677) is 4-phenoxycinnolin-7-amine.
What is the SMILES notation for 4-phenoxycinnolin-7-amine?
The canonical SMILES for 4-phenoxycinnolin-7-amine is Nc1ccc2c(Oc3ccccc3)cnnc2c1.
What is the InChIKey of 4-phenoxycinnolin-7-amine?
The InChIKey is OWXQGUANGBJNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-10-6-7-12-13(8-10)17-16-9-14(12)18-11-4-2-1-3-5-11/h1-9H,15H2.
What are the key properties of 4-phenoxycinnolin-7-amine?
4-phenoxycinnolin-7-amine 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-phenoxycinnolin-7-amine is sourced from PubChem (CID 86018677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).