5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid

C14H14N2O4 — CID 62299947

IUPAC5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ncc3ccccc3c2=O)O1
InChIInChI=1S/C14H14N2O4/c17-13-11-4-2-1-3-9(11)7-15-16(13)8-10-5-6-12(20-10)14(18)19/h1-4,7,10,12H,5-6,8H2,(H,18,19)
InChIKeyQFRHAEWHCLBGCL-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.03
Rot. Bonds3

About 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid

5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 62299947) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid
PubChem CID62299947
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(Cn2ncc3ccccc3c2=O)O1
InChIInChI=1S/C14H14N2O4/c17-13-11-4-2-1-3-9(11)7-15-16(13)8-10-5-6-12(20-10)14(18)19/h1-4,7,10,12H,5-6,8H2,(H,18,19)
InChIKeyQFRHAEWHCLBGCL-UHFFFAOYSA-N
XLogP1.03
TPSA81.42 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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-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 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid (CID 62299947) is 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(Cn2ncc3ccccc3c2=O)O1.
What is the InChIKey of 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is QFRHAEWHCLBGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13-11-4-2-1-3-9(11)7-15-16(13)8-10-5-6-12(20-10)14(18)19/h1-4,7,10,12H,5-6,8H2,(H,18,19).
What are the key properties of 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid?
5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-oxophthalazin-2-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62299947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).