4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine

C18H21NO2 — CID 118954391

IUPAC4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C18H21NO2/c1-5-12-7-6-8-14-15-10-17(21-4)16(20-3)9-13(15)11-19(2)18(12)14/h6-10H,5,11H2,1-4H3
InChIKeyQYHFOWURCINVBZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.88
Rot. Bonds3

About 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine

4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine (PubChem CID 118954391) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine.

Molecular Properties

Compound Name4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine
PubChem CID118954391
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OC)c(OC)cc1-2
InChIInChI=1S/C18H21NO2/c1-5-12-7-6-8-14-15-10-17(21-4)16(20-3)9-13(15)11-19(2)18(12)14/h6-10H,5,11H2,1-4H3
InChIKeyQYHFOWURCINVBZ-UHFFFAOYSA-N
XLogP3.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine?
The IUPAC name of 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine (CID 118954391) is 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine.
What is the SMILES notation for 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine?
The canonical SMILES for 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine is CCc1cccc2c1N(C)Cc1cc(OC)c(OC)cc1-2.
What is the InChIKey of 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine?
The InChIKey is QYHFOWURCINVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-5-12-7-6-8-14-15-10-17(21-4)16(20-3)9-13(15)11-19(2)18(12)14/h6-10H,5,11H2,1-4H3.
What are the key properties of 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine?
4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine has a molecular weight of 283.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8,9-dimethoxy-5-methyl-6H-phenanthridine is sourced from PubChem (CID 118954391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).