methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate

C24H28N2O5 — CID 24879153

IUPACmethyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate
SMILESCOC(=O)c1cccc2nc3c(C(C(=O)OC)C(O)CCCC(C)C)cccc3nc12
InChIInChI=1S/C24H28N2O5/c1-14(2)8-5-13-19(27)20(24(29)31-4)15-9-6-11-17-21(15)25-18-12-7-10-16(22(18)26-17)23(28)30-3/h6-7,9-12,14,19-20,27H,5,8,13H2,1-4H3
InChIKeyYNVFQWRFLIXGIL-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.01
Rot. Bonds8

About methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate

methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate (PubChem CID 24879153) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate
PubChem CID24879153
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namemethyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate
SMILESCOC(=O)c1cccc2nc3c(C(C(=O)OC)C(O)CCCC(C)C)cccc3nc12
InChIInChI=1S/C24H28N2O5/c1-14(2)8-5-13-19(27)20(24(29)31-4)15-9-6-11-17-21(15)25-18-12-7-10-16(22(18)26-17)23(28)30-3/h6-7,9-12,14,19-20,27H,5,8,13H2,1-4H3
InChIKeyYNVFQWRFLIXGIL-UHFFFAOYSA-N
XLogP4.01
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate?
The IUPAC name of methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate (CID 24879153) is methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate.
What is the SMILES notation for methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate?
The canonical SMILES for methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate is COC(=O)c1cccc2nc3c(C(C(=O)OC)C(O)CCCC(C)C)cccc3nc12.
What is the InChIKey of methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate?
The InChIKey is YNVFQWRFLIXGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-14(2)8-5-13-19(27)20(24(29)31-4)15-9-6-11-17-21(15)25-18-12-7-10-16(22(18)26-17)23(28)30-3/h6-7,9-12,14,19-20,27H,5,8,13H2,1-4H3.
What are the key properties of methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate?
methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxooctan-2-yl)phenazine-1-carboxylate is sourced from PubChem (CID 24879153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).