methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate

C17H18N2O2 — CID 57107155

IUPACmethyl 3-(10-methyl-5H-phenazin-1-yl)propanoate
SMILESCOC(=O)CCc1cccc2c1N(C)c1ccccc1N2
InChIInChI=1S/C17H18N2O2/c1-19-15-9-4-3-7-13(15)18-14-8-5-6-12(17(14)19)10-11-16(20)21-2/h3-9,18H,10-11H2,1-2H3
InChIKeyCJJCGYSMPMZUMC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.62
Rot. Bonds3

About methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate

methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate (PubChem CID 57107155) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(10-methyl-5H-phenazin-1-yl)propanoate
PubChem CID57107155
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namemethyl 3-(10-methyl-5H-phenazin-1-yl)propanoate
SMILESCOC(=O)CCc1cccc2c1N(C)c1ccccc1N2
InChIInChI=1S/C17H18N2O2/c1-19-15-9-4-3-7-13(15)18-14-8-5-6-12(17(14)19)10-11-16(20)21-2/h3-9,18H,10-11H2,1-2H3
InChIKeyCJJCGYSMPMZUMC-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate?
The IUPAC name of methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate (CID 57107155) is methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate is COC(=O)CCc1cccc2c1N(C)c1ccccc1N2.
What is the InChIKey of methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate?
The InChIKey is CJJCGYSMPMZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-15-9-4-3-7-13(15)18-14-8-5-6-12(17(14)19)10-11-16(20)21-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate?
methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate has a molecular weight of 282.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate is sourced from PubChem (CID 57107155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).