ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate

C21H15NO5 — CID 15417172

IUPACethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
SMILESCCOC(=O)c1c2c(nc3ccc(OC)cc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H15NO5/c1-3-27-21(25)16-14-10-11(26-2)8-9-15(14)22-18-17(16)19(23)12-6-4-5-7-13(12)20(18)24/h4-10H,3H2,1-2H3
InChIKeyLOQOSUADXQVNMR-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.20
Rot. Bonds3

About ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate

ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate (PubChem CID 15417172) has the molecular formula C21H15NO5 and a molecular weight of 361.35 g/mol. Its IUPAC name is ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
PubChem CID15417172
Molecular FormulaC21H15NO5
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Nameethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
SMILESCCOC(=O)c1c2c(nc3ccc(OC)cc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H15NO5/c1-3-27-21(25)16-14-10-11(26-2)8-9-15(14)22-18-17(16)19(23)12-6-4-5-7-13(12)20(18)24/h4-10H,3H2,1-2H3
InChIKeyLOQOSUADXQVNMR-UHFFFAOYSA-N
XLogP3.20
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.20
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

ethyl 17,24-dioxo-15-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-26-carboxylate
CID 10455426
ethyl 11-oxobenzo[b]fluorene-10-carboxylate
CID 10946575
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
CID 132534382
ethyl 3-bromo-6,11-dioxotetracene-5-carboxylate
CID 11327304
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
ethyl 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 162343089
ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 22480990
diethyl 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]quinoline-3,4-dicarboxylate
CID 177434529
ethyl 1,3-dichloro-6,11-dioxotetracene-5-carboxylate
CID 101115879
ethyl 1-bromo-6,11-dioxotetracene-5-carboxylate
CID 101115877

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate?
The IUPAC name of ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate (CID 15417172) is ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate?
The canonical SMILES for ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate is CCOC(=O)c1c2c(nc3ccc(OC)cc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate?
The InChIKey is LOQOSUADXQVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO5/c1-3-27-21(25)16-14-10-11(26-2)8-9-15(14)22-18-17(16)19(23)12-6-4-5-7-13(12)20(18)24/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate?
ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate has a molecular weight of 361.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate is sourced from PubChem (CID 15417172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).