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

C25H30N2O5 — CID 24879217

IUPACmethyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate
SMILESCCC(C)CCCC(O)C(C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12
InChIInChI=1S/C25H30N2O5/c1-5-15(2)9-6-14-20(28)21(25(30)32-4)16-10-7-12-18-22(16)26-19-13-8-11-17(23(19)27-18)24(29)31-3/h7-8,10-13,15,20-21,28H,5-6,9,14H2,1-4H3
InChIKeyBNLCCYULJSGXCA-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.40
Rot. Bonds9

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

methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate (PubChem CID 24879217) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate
PubChem CID24879217
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namemethyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate
SMILESCCC(C)CCCC(O)C(C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12
InChIInChI=1S/C25H30N2O5/c1-5-15(2)9-6-14-20(28)21(25(30)32-4)16-10-7-12-18-22(16)26-19-13-8-11-17(23(19)27-18)24(29)31-3/h7-8,10-13,15,20-21,28H,5-6,9,14H2,1-4H3
InChIKeyBNLCCYULJSGXCA-UHFFFAOYSA-N
XLogP4.40
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.40
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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Related Compounds

1-Phenazinecarboxylic acid
CID 95069
1,6-Phenazinedicarboxylic acid
CID 193025
Saphenic acid methyl ester
CID 443634
Saphenamycin
CID 101563230
Propan-2-yl phenazine-2-carboxylate
CID 3767092
Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
CID 710825
SB 212021
CID 135527046
Ethyl 6,11-dioxo-6,11-dihydro-5,12-diazatetracene-2-carboxylate
CID 4372959
6-[(1R)-1-(6-acetylphenazine-1-carbonyl)oxyethyl]phenazine-1-carboxylic acid
CID 168280870
6-[(1R)-1-[6-[(1R)-1-hydroxyethyl]phenazine-1-carbonyl]oxyethyl]phenazine-1-carboxylic acid
CID 168285110
Methyl phenazine-1-carboxylate
CID 602126
Streptophenazine C
CID 24879151

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate?
The IUPAC name of methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate (CID 24879217) is methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate.
What is the SMILES notation for methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate?
The canonical SMILES for methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate is CCC(C)CCCC(O)C(C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12.
What is the InChIKey of methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate?
The InChIKey is BNLCCYULJSGXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-5-15(2)9-6-14-20(28)21(25(30)32-4)16-10-7-12-18-22(16)26-19-13-8-11-17(23(19)27-18)24(29)31-3/h7-8,10-13,15,20-21,28H,5-6,9,14H2,1-4H3.
What are the key properties of methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate?
methyl 6-(3-hydroxy-1-methoxy-7-methyl-1-oxononan-2-yl)phenazine-1-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 4.40, 9 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-oxononan-2-yl)phenazine-1-carboxylate is sourced from PubChem (CID 24879217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).