7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one

C18H15N3O2 — CID 155354550

IUPAC7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one
SMILESCOc1nn(-c2ccccc2)c2c1CC(=O)c1cc(N)ccc1-2
InChIInChI=1S/C18H15N3O2/c1-23-18-15-10-16(22)14-9-11(19)7-8-13(14)17(15)21(20-18)12-5-3-2-4-6-12/h2-9H,10,19H2,1H3
InChIKeyXCVWAMOBVINIQA-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.87
Rot. Bonds2

About 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one

7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one (PubChem CID 155354550) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one.

Molecular Properties

Compound Name7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one
PubChem CID155354550
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one
SMILESCOc1nn(-c2ccccc2)c2c1CC(=O)c1cc(N)ccc1-2
InChIInChI=1S/C18H15N3O2/c1-23-18-15-10-16(22)14-9-11(19)7-8-13(14)17(15)21(20-18)12-5-3-2-4-6-12/h2-9H,10,19H2,1H3
InChIKeyXCVWAMOBVINIQA-UHFFFAOYSA-N
XLogP2.87
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-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 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one?
The IUPAC name of 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one (CID 155354550) is 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one.
What is the SMILES notation for 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one?
The canonical SMILES for 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one is COc1nn(-c2ccccc2)c2c1CC(=O)c1cc(N)ccc1-2.
What is the InChIKey of 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one?
The InChIKey is XCVWAMOBVINIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-18-15-10-16(22)14-9-11(19)7-8-13(14)17(15)21(20-18)12-5-3-2-4-6-12/h2-9H,10,19H2,1H3.
What are the key properties of 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one?
7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one has a molecular weight of 305.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methoxy-1-phenyl-4H-benzo[g]indazol-5-one is sourced from PubChem (CID 155354550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).