5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione

C25H21NO4 — CID 157349097

IUPAC5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione
SMILESCOCCOCn1c2ccccc2c(=O)c2cc3c(cc21)C(=O)c1ccccc1C3
InChIInChI=1S/C25H21NO4/c1-29-10-11-30-15-26-22-9-5-4-8-19(22)25(28)21-13-17-12-16-6-2-3-7-18(16)24(27)20(17)14-23(21)26/h2-9,13-14H,10-12,15H2,1H3
InChIKeyDCNRWCLOXNXHPM-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.91
Rot. Bonds5

About 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione

5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione (PubChem CID 157349097) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione.

Molecular Properties

Compound Name5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione
PubChem CID157349097
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione
SMILESCOCCOCn1c2ccccc2c(=O)c2cc3c(cc21)C(=O)c1ccccc1C3
InChIInChI=1S/C25H21NO4/c1-29-10-11-30-15-26-22-9-5-4-8-19(22)25(28)21-13-17-12-16-6-2-3-7-18(16)24(27)20(17)14-23(21)26/h2-9,13-14H,10-12,15H2,1H3
InChIKeyDCNRWCLOXNXHPM-UHFFFAOYSA-N
XLogP3.91
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione?
The IUPAC name of 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione (CID 157349097) is 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione.
What is the SMILES notation for 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione?
The canonical SMILES for 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione is COCCOCn1c2ccccc2c(=O)c2cc3c(cc21)C(=O)c1ccccc1C3.
What is the InChIKey of 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione?
The InChIKey is DCNRWCLOXNXHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-29-10-11-30-15-26-22-9-5-4-8-19(22)25(28)21-13-17-12-16-6-2-3-7-18(16)24(27)20(17)14-23(21)26/h2-9,13-14H,10-12,15H2,1H3.
What are the key properties of 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione?
5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione has a molecular weight of 399.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethyl)-12H-naphtho[3,2-b]acridine-7,14-dione is sourced from PubChem (CID 157349097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).