3-(3-cyanophenoxy)cinnoline-4-carboxylic acid

C16H9N3O3 — CID 162357543

IUPAC3-(3-cyanophenoxy)cinnoline-4-carboxylic acid
SMILESN#Cc1cccc(Oc2nnc3ccccc3c2C(=O)O)c1
InChIInChI=1S/C16H9N3O3/c17-9-10-4-3-5-11(8-10)22-15-14(16(20)21)12-6-1-2-7-13(12)18-19-15/h1-8H,(H,20,21)
InChIKeyNMGBQNANZSWFQC-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.99
Rot. Bonds3

About 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid

3-(3-cyanophenoxy)cinnoline-4-carboxylic acid (PubChem CID 162357543) has the molecular formula C16H9N3O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyanophenoxy)cinnoline-4-carboxylic acid
PubChem CID162357543
Molecular FormulaC16H9N3O3
Molecular Weight291.27 g/mol
Exact Mass291.06
IUPAC Name3-(3-cyanophenoxy)cinnoline-4-carboxylic acid
SMILESN#Cc1cccc(Oc2nnc3ccccc3c2C(=O)O)c1
InChIInChI=1S/C16H9N3O3/c17-9-10-4-3-5-11(8-10)22-15-14(16(20)21)12-6-1-2-7-13(12)18-19-15/h1-8H,(H,20,21)
InChIKeyNMGBQNANZSWFQC-UHFFFAOYSA-N
XLogP2.99
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid?
The IUPAC name of 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid (CID 162357543) is 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid.
What is the SMILES notation for 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid?
The canonical SMILES for 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid is N#Cc1cccc(Oc2nnc3ccccc3c2C(=O)O)c1.
What is the InChIKey of 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid?
The InChIKey is NMGBQNANZSWFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O3/c17-9-10-4-3-5-11(8-10)22-15-14(16(20)21)12-6-1-2-7-13(12)18-19-15/h1-8H,(H,20,21).
What are the key properties of 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid?
3-(3-cyanophenoxy)cinnoline-4-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenoxy)cinnoline-4-carboxylic acid is sourced from PubChem (CID 162357543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).