(6-methylphenazin-1-yl) acetate

C15H12N2O2 — CID 610919

IUPAC(6-methylphenazin-1-yl) acetate
SMILESCC(=O)Oc1cccc2nc3c(C)cccc3nc12
InChIInChI=1S/C15H12N2O2/c1-9-5-3-6-11-14(9)16-12-7-4-8-13(15(12)17-11)19-10(2)18/h3-8H,1-2H3
InChIKeyBUTSMXKWLGKIIS-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.02
Rot. Bonds1

About (6-methylphenazin-1-yl) acetate

(6-methylphenazin-1-yl) acetate (PubChem CID 610919) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (6-methylphenazin-1-yl) acetate.

Molecular Properties

Compound Name(6-methylphenazin-1-yl) acetate
PubChem CID610919
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(6-methylphenazin-1-yl) acetate
SMILESCC(=O)Oc1cccc2nc3c(C)cccc3nc12
InChIInChI=1S/C15H12N2O2/c1-9-5-3-6-11-14(9)16-12-7-4-8-13(15(12)17-11)19-10(2)18/h3-8H,1-2H3
InChIKeyBUTSMXKWLGKIIS-UHFFFAOYSA-N
XLogP3.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(9-acetyloxyphenazin-1-yl) acetate
CID 611384
(9-acetyloxyphenazin-2-yl) acetate
CID 611477
acetic acid;1-methoxyphenazine
CID 174937212
(4-methyl-1,3-benzothiazol-2-yl) acetate
CID 21327492
[2-(trifluoromethyl)-1H-benzimidazol-4-yl] acetate
CID 76845861
(2,3-dimethylindazol-7-yl) acetate
CID 176566350
hydron;quinazolin-8-yl acetate
CID 174628972
(2-propan-2-ylquinolin-8-yl) acetate
CID 134285695
(2,3-dichloroquinoxalin-5-yl) carbonochloridate
CID 88766186
ethyl 3,8-dimethylquinoxaline-2-carboxylate
CID 67396777
[3-methyl-2-(5-methyl-1,3-benzothiazol-2-yl)phenyl] acetate
CID 135069738
2,6-diacetyloxybenzoic acid
CID 10007406

Frequently Asked Questions

What is the IUPAC name of (6-methylphenazin-1-yl) acetate?
The IUPAC name of (6-methylphenazin-1-yl) acetate (CID 610919) is (6-methylphenazin-1-yl) acetate.
What is the SMILES notation for (6-methylphenazin-1-yl) acetate?
The canonical SMILES for (6-methylphenazin-1-yl) acetate is CC(=O)Oc1cccc2nc3c(C)cccc3nc12.
What is the InChIKey of (6-methylphenazin-1-yl) acetate?
The InChIKey is BUTSMXKWLGKIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-5-3-6-11-14(9)16-12-7-4-8-13(15(12)17-11)19-10(2)18/h3-8H,1-2H3.
What are the key properties of (6-methylphenazin-1-yl) acetate?
(6-methylphenazin-1-yl) acetate has a molecular weight of 252.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylphenazin-1-yl) acetate is sourced from PubChem (CID 610919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).