ethyl 6-aminophenazine-1-carboxylate

C15H13N3O2 — CID 46187761

IUPACethyl 6-aminophenazine-1-carboxylate
SMILESCCOC(=O)c1cccc2nc3c(N)cccc3nc12
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)9-5-3-7-11-13(9)17-12-8-4-6-10(16)14(12)18-11/h3-8H,2,16H2,1H3
InChIKeyNLOXVDKEUZDCTA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.54
Rot. Bonds2

About ethyl 6-aminophenazine-1-carboxylate

ethyl 6-aminophenazine-1-carboxylate (PubChem CID 46187761) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 6-aminophenazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-aminophenazine-1-carboxylate
PubChem CID46187761
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Nameethyl 6-aminophenazine-1-carboxylate
SMILESCCOC(=O)c1cccc2nc3c(N)cccc3nc12
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)9-5-3-7-11-13(9)17-12-8-4-6-10(16)14(12)18-11/h3-8H,2,16H2,1H3
InChIKeyNLOXVDKEUZDCTA-UHFFFAOYSA-N
XLogP2.54
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 ethyl 6-aminophenazine-1-carboxylate?
The IUPAC name of ethyl 6-aminophenazine-1-carboxylate (CID 46187761) is ethyl 6-aminophenazine-1-carboxylate.
What is the SMILES notation for ethyl 6-aminophenazine-1-carboxylate?
The canonical SMILES for ethyl 6-aminophenazine-1-carboxylate is CCOC(=O)c1cccc2nc3c(N)cccc3nc12.
What is the InChIKey of ethyl 6-aminophenazine-1-carboxylate?
The InChIKey is NLOXVDKEUZDCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-15(19)9-5-3-7-11-13(9)17-12-8-4-6-10(16)14(12)18-11/h3-8H,2,16H2,1H3.
What are the key properties of ethyl 6-aminophenazine-1-carboxylate?
ethyl 6-aminophenazine-1-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-aminophenazine-1-carboxylate is sourced from PubChem (CID 46187761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).