methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate

C18H10N2O4 — CID 90240452

IUPACmethyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
SMILESCOC(=O)c1ccc2nc3c(nc2c1)C(=O)C(=O)c1ccccc1-3
InChIInChI=1S/C18H10N2O4/c1-24-18(23)9-6-7-12-13(8-9)20-15-14(19-12)10-4-2-3-5-11(10)16(21)17(15)22/h2-8H,1H3
InChIKeyDZZDLIMYTPGQBN-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.46
Rot. Bonds1

About methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate

methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate (PubChem CID 90240452) has the molecular formula C18H10N2O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
PubChem CID90240452
Molecular FormulaC18H10N2O4
Molecular Weight318.29 g/mol
Exact Mass318.06
IUPAC Namemethyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
SMILESCOC(=O)c1ccc2nc3c(nc2c1)C(=O)C(=O)c1ccccc1-3
InChIInChI=1S/C18H10N2O4/c1-24-18(23)9-6-7-12-13(8-9)20-15-14(19-12)10-4-2-3-5-11(10)16(21)17(15)22/h2-8H,1H3
InChIKeyDZZDLIMYTPGQBN-UHFFFAOYSA-N
XLogP2.46
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl phenazine-2-carboxylate
CID 617185
methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
CID 135017130
7-methylindeno[1,2-b]quinoxalin-11-one
CID 2799070
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate
CID 86718142
sodium;2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methyl 2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;hydroxide
CID 158584817
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
methyl 2-(2-bromophenyl)quinoline-7-carboxylate
CID 169130575
methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate
CID 1330020
methyl 3-[methyl(propan-2-yl)amino]-2-(3-phenylfuran-2-yl)quinoxaline-6-carboxylate
CID 70665079
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate?
The IUPAC name of methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate (CID 90240452) is methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate.
What is the SMILES notation for methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate?
The canonical SMILES for methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate is COC(=O)c1ccc2nc3c(nc2c1)C(=O)C(=O)c1ccccc1-3.
What is the InChIKey of methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate?
The InChIKey is DZZDLIMYTPGQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O4/c1-24-18(23)9-6-7-12-13(8-9)20-15-14(19-12)10-4-2-3-5-11(10)16(21)17(15)22/h2-8H,1H3.
What are the key properties of methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate?
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate has a molecular weight of 318.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate is sourced from PubChem (CID 90240452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).