methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate

C16H11NO5 — CID 15757705

IUPACmethyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2c1C(=O)c1cccc(OC)c1C2=O
InChIInChI=1S/C16H11NO5/c1-21-10-5-3-4-8-11(10)15(19)13-12(14(8)18)9(6-7-17-13)16(20)22-2/h3-7H,1-2H3
InChIKeyHGMQWPRTRZUYDJ-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.65
Rot. Bonds2

About methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate

methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate (PubChem CID 15757705) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate
PubChem CID15757705
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Namemethyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2c1C(=O)c1cccc(OC)c1C2=O
InChIInChI=1S/C16H11NO5/c1-21-10-5-3-4-8-11(10)15(19)13-12(14(8)18)9(6-7-17-13)16(20)22-2/h3-7H,1-2H3
InChIKeyHGMQWPRTRZUYDJ-UHFFFAOYSA-N
XLogP1.65
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
1,5-dimethoxyfluoren-9-one
CID 19594782
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
ethyl 1-hydroxy-5-methoxy-9,10-dioxoanthracene-2-carboxylate
CID 134937894
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
4-methoxy-9-methylpyrido[2,3-g]quinoline-5,10-dione
CID 11054197
ethane;methyl 2-methoxybenzoate
CID 178037044
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
9-hydroxy-4-methylbenzo[g]quinoline-5,10-dione
CID 14176769
methyl 2-(1,4-dihydroxy-5-methoxy-9,10-dioxoanthracen-2-yl)acetate
CID 95931027
methyl 8-amino-9,10-dioxoanthracene-1-carboxylate
CID 70123121

Frequently Asked Questions

What is the IUPAC name of methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate?
The IUPAC name of methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate (CID 15757705) is methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate.
What is the SMILES notation for methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate?
The canonical SMILES for methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate is COC(=O)c1ccnc2c1C(=O)c1cccc(OC)c1C2=O.
What is the InChIKey of methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate?
The InChIKey is HGMQWPRTRZUYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c1-21-10-5-3-4-8-11(10)15(19)13-12(14(8)18)9(6-7-17-13)16(20)22-2/h3-7H,1-2H3.
What are the key properties of methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate?
methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate has a molecular weight of 297.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methoxy-5,10-dioxobenzo[g]quinoline-4-carboxylate is sourced from PubChem (CID 15757705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).