5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one

C19H21NO5 — CID 10405159

IUPAC5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
SMILESCCn1c(=O)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc21
InChIInChI=1S/C19H21NO5/c1-6-20-14-10-18(25-5)16(23-3)8-12(14)11-7-15(22-2)17(24-4)9-13(11)19(20)21/h7-10H,6H2,1-5H3
InChIKeySUXOLOPLOGBCAZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.21
Rot. Bonds5

About 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one

5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one (PubChem CID 10405159) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one.

Molecular Properties

Compound Name5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
PubChem CID10405159
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
SMILESCCn1c(=O)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc21
InChIInChI=1S/C19H21NO5/c1-6-20-14-10-18(25-5)16(23-3)8-12(14)11-7-15(22-2)17(24-4)9-13(11)19(20)21/h7-10H,6H2,1-5H3
InChIKeySUXOLOPLOGBCAZ-UHFFFAOYSA-N
XLogP3.21
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-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-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one?
The IUPAC name of 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one (CID 10405159) is 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one.
What is the SMILES notation for 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one?
The canonical SMILES for 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one is CCn1c(=O)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc21.
What is the InChIKey of 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one?
The InChIKey is SUXOLOPLOGBCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-6-20-14-10-18(25-5)16(23-3)8-12(14)11-7-15(22-2)17(24-4)9-13(11)19(20)21/h7-10H,6H2,1-5H3.
What are the key properties of 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one?
5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one has a molecular weight of 343.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one is sourced from PubChem (CID 10405159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).