6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione

C15H18N2O3 — CID 166597670

IUPAC6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2cc(OCC3CCCCC3)ccc12
InChIInChI=1S/C15H18N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)(H,17,19)
InChIKeyPCAWJIMDNGAMRA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.18
Rot. Bonds3

About 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione

6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 166597670) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione
PubChem CID166597670
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2cc(OCC3CCCCC3)ccc12
InChIInChI=1S/C15H18N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)(H,17,19)
InChIKeyPCAWJIMDNGAMRA-UHFFFAOYSA-N
XLogP2.18
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione 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 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione (CID 166597670) is 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione is O=c1[nH][nH]c(=O)c2cc(OCC3CCCCC3)ccc12.
What is the InChIKey of 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is PCAWJIMDNGAMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,18)(H,17,19).
What are the key properties of 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione?
6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 274.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 166597670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).