butyl 8-aminophenazine-1-carboxylate

C17H17N3O2 — CID 46187939

IUPACbutyl 8-aminophenazine-1-carboxylate
SMILESCCCCOC(=O)c1cccc2nc3ccc(N)cc3nc12
InChIInChI=1S/C17H17N3O2/c1-2-3-9-22-17(21)12-5-4-6-14-16(12)20-15-10-11(18)7-8-13(15)19-14/h4-8,10H,2-3,9,18H2,1H3
InChIKeyIARKIJXFYBODPY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.32
Rot. Bonds4

About butyl 8-aminophenazine-1-carboxylate

butyl 8-aminophenazine-1-carboxylate (PubChem CID 46187939) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is butyl 8-aminophenazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 8-aminophenazine-1-carboxylate
PubChem CID46187939
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namebutyl 8-aminophenazine-1-carboxylate
SMILESCCCCOC(=O)c1cccc2nc3ccc(N)cc3nc12
InChIInChI=1S/C17H17N3O2/c1-2-3-9-22-17(21)12-5-4-6-14-16(12)20-15-10-11(18)7-8-13(15)19-14/h4-8,10H,2-3,9,18H2,1H3
InChIKeyIARKIJXFYBODPY-UHFFFAOYSA-N
XLogP3.32
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(4-octoxycarbonylphenyl) phenazine-1-carboxylate
CID 134822519
diethyl phenazine-1,6-dicarboxylate
CID 71514835
dibutyl benzene-1,2-dicarboxylate
CID 69108201
butyl 4-amino-2-methylbenzoate
CID 45089758
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
butyl 4-(5-aminobenzotriazol-2-yl)benzoate
CID 50879153
sodium;dibutyl benzene-1,2-dicarboxylate;hydride
CID 174330340
tetradecyl 3-aminobenzoate
CID 139931873
hexyl 5-amino-2-(4-amino-2-hexoxycarbonylphenyl)benzoate
CID 100954905
butyl 2-amino-3-fluorobenzoate
CID 80502132
pentyl 5-amino-2-hydroxybenzoate
CID 61302134
butyl 2-fluoroquinoline-4-carboxylate
CID 151844507

Frequently Asked Questions

What is the IUPAC name of butyl 8-aminophenazine-1-carboxylate?
The IUPAC name of butyl 8-aminophenazine-1-carboxylate (CID 46187939) is butyl 8-aminophenazine-1-carboxylate.
What is the SMILES notation for butyl 8-aminophenazine-1-carboxylate?
The canonical SMILES for butyl 8-aminophenazine-1-carboxylate is CCCCOC(=O)c1cccc2nc3ccc(N)cc3nc12.
What is the InChIKey of butyl 8-aminophenazine-1-carboxylate?
The InChIKey is IARKIJXFYBODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-3-9-22-17(21)12-5-4-6-14-16(12)20-15-10-11(18)7-8-13(15)19-14/h4-8,10H,2-3,9,18H2,1H3.
What are the key properties of butyl 8-aminophenazine-1-carboxylate?
butyl 8-aminophenazine-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 8-aminophenazine-1-carboxylate is sourced from PubChem (CID 46187939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).