4-(oxan-4-yloxy)cinnoline-3-carboxylic acid

C14H14N2O4 — CID 64622887

IUPAC4-(oxan-4-yloxy)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1OC1CCOCC1
InChIInChI=1S/C14H14N2O4/c17-14(18)12-13(20-9-5-7-19-8-6-9)10-3-1-2-4-11(10)15-16-12/h1-4,9H,5-8H2,(H,17,18)
InChIKeyFARZYFNTHFAZOK-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.89
Rot. Bonds3

About 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid

4-(oxan-4-yloxy)cinnoline-3-carboxylic acid (PubChem CID 64622887) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(oxan-4-yloxy)cinnoline-3-carboxylic acid
PubChem CID64622887
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-(oxan-4-yloxy)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1OC1CCOCC1
InChIInChI=1S/C14H14N2O4/c17-14(18)12-13(20-9-5-7-19-8-6-9)10-3-1-2-4-11(10)15-16-12/h1-4,9H,5-8H2,(H,17,18)
InChIKeyFARZYFNTHFAZOK-UHFFFAOYSA-N
XLogP1.89
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid (CID 64622887) is 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid is O=C(O)c1nnc2ccccc2c1OC1CCOCC1.
What is the InChIKey of 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid?
The InChIKey is FARZYFNTHFAZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-14(18)12-13(20-9-5-7-19-8-6-9)10-3-1-2-4-11(10)15-16-12/h1-4,9H,5-8H2,(H,17,18).
What are the key properties of 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid?
4-(oxan-4-yloxy)cinnoline-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64622887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).