7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one

C19H18N2O4 — CID 69311081

IUPAC7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one
SMILESCOCCOCn1cc2c(ccc3cc4c(cc32)CC(=O)C=C4O)n1
InChIInChI=1S/C19H18N2O4/c1-24-4-5-25-11-21-10-17-15-8-13-6-14(22)9-19(23)16(13)7-12(15)2-3-18(17)20-21/h2-3,7-10,23H,4-6,11H2,1H3
InChIKeyYHLQLPUEUJECJU-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.83
Rot. Bonds5

About 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one

7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one (PubChem CID 69311081) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one.

Molecular Properties

Compound Name7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one
PubChem CID69311081
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one
SMILESCOCCOCn1cc2c(ccc3cc4c(cc32)CC(=O)C=C4O)n1
InChIInChI=1S/C19H18N2O4/c1-24-4-5-25-11-21-10-17-15-8-13-6-14(22)9-19(23)16(13)7-12(15)2-3-18(17)20-21/h2-3,7-10,23H,4-6,11H2,1H3
InChIKeyYHLQLPUEUJECJU-UHFFFAOYSA-N
XLogP2.83
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-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-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one?
The IUPAC name of 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one (CID 69311081) is 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one.
What is the SMILES notation for 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one?
The canonical SMILES for 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one is COCCOCn1cc2c(ccc3cc4c(cc32)CC(=O)C=C4O)n1.
What is the InChIKey of 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one?
The InChIKey is YHLQLPUEUJECJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-4-5-25-11-21-10-17-15-8-13-6-14(22)9-19(23)16(13)7-12(15)2-3-18(17)20-21/h2-3,7-10,23H,4-6,11H2,1H3.
What are the key properties of 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one?
7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one has a molecular weight of 338.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-methoxyethoxymethyl)-10H-naphtho[3,2-e]indazol-9-one is sourced from PubChem (CID 69311081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).