7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one

C19H18N2O4 — CID 141034898

IUPAC7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one
SMILESCOCCOCn1[nH]c2ccc3cc4c(O)cccc4cc3c2c1=O
InChIInChI=1S/C19H18N2O4/c1-24-7-8-25-11-21-19(23)18-15-10-12-3-2-4-17(22)14(12)9-13(15)5-6-16(18)20-21/h2-6,9-10,20,22H,7-8,11H2,1H3
InChIKeySZAKFJQLGSCFPT-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.96
Rot. Bonds5

About 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one

7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one (PubChem CID 141034898) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one.

Molecular Properties

Compound Name7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one
PubChem CID141034898
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one
SMILESCOCCOCn1[nH]c2ccc3cc4c(O)cccc4cc3c2c1=O
InChIInChI=1S/C19H18N2O4/c1-24-7-8-25-11-21-19(23)18-15-10-12-3-2-4-17(22)14(12)9-13(15)5-6-16(18)20-21/h2-6,9-10,20,22H,7-8,11H2,1H3
InChIKeySZAKFJQLGSCFPT-UHFFFAOYSA-N
XLogP2.96
TPSA76.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one?
The IUPAC name of 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one (CID 141034898) is 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one.
What is the SMILES notation for 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one?
The canonical SMILES for 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one is COCCOCn1[nH]c2ccc3cc4c(O)cccc4cc3c2c1=O.
What is the InChIKey of 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one?
The InChIKey is SZAKFJQLGSCFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-7-8-25-11-21-19(23)18-15-10-12-3-2-4-17(22)14(12)9-13(15)5-6-16(18)20-21/h2-6,9-10,20,22H,7-8,11H2,1H3.
What are the key properties of 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one?
7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one has a molecular weight of 338.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-methoxyethoxymethyl)-3H-naphtho[2,3-e]indazol-1-one is sourced from PubChem (CID 141034898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).