5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one

C18H14N2O2 — CID 155753444

IUPAC5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one
SMILESCOc1cc2c(=O)[nH]n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C18H14N2O2/c1-22-16-11-15-17(14-10-6-5-9-13(14)16)20(19-18(15)21)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,21)
InChIKeyRSUBFBZNOJQPRE-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.48
Rot. Bonds2

About 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one

5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one (PubChem CID 155753444) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one.

Molecular Properties

Compound Name5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one
PubChem CID155753444
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one
SMILESCOc1cc2c(=O)[nH]n(-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C18H14N2O2/c1-22-16-11-15-17(14-10-6-5-9-13(14)16)20(19-18(15)21)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,21)
InChIKeyRSUBFBZNOJQPRE-UHFFFAOYSA-N
XLogP3.48
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one 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-methoxy-1-phenyl-2H-benzo[g]indazol-3-one?
The IUPAC name of 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one (CID 155753444) is 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one.
What is the SMILES notation for 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one?
The canonical SMILES for 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one is COc1cc2c(=O)[nH]n(-c3ccccc3)c2c2ccccc12.
What is the InChIKey of 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one?
The InChIKey is RSUBFBZNOJQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-16-11-15-17(14-10-6-5-9-13(14)16)20(19-18(15)21)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,21).
What are the key properties of 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one?
5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one has a molecular weight of 290.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one is sourced from PubChem (CID 155753444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).