methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate

C29H26O8 — CID 11005618

IUPACmethyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
SMILESCOC(=O)c1c(C)cc2c(c1OC)-c1cc3c(c(OC)c1CC2)C(=O)c1c(OC)cc(OC)cc1C3=O
InChIInChI=1S/C29H26O8/c1-13-9-14-7-8-16-17(22(14)28(36-5)21(13)29(32)37-6)12-19-24(27(16)35-4)26(31)23-18(25(19)30)10-15(33-2)11-20(23)34-3/h9-12H,7-8H2,1-6H3
InChIKeyRAMHBAWMHUKRSO-UHFFFAOYSA-N
MW502.52 g/mol
LogP4.36
Rot. Bonds5

About methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate

methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate (PubChem CID 11005618) has the molecular formula C29H26O8 and a molecular weight of 502.52 g/mol. Its IUPAC name is methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
PubChem CID11005618
Molecular FormulaC29H26O8
Molecular Weight502.52 g/mol
Exact Mass502.16
IUPAC Namemethyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
SMILESCOC(=O)c1c(C)cc2c(c1OC)-c1cc3c(c(OC)c1CC2)C(=O)c1c(OC)cc(OC)cc1C3=O
InChIInChI=1S/C29H26O8/c1-13-9-14-7-8-16-17(22(14)28(36-5)21(13)29(32)37-6)12-19-24(27(16)35-4)26(31)23-18(25(19)30)10-15(33-2)11-20(23)34-3/h9-12H,7-8H2,1-6H3
InChIKeyRAMHBAWMHUKRSO-UHFFFAOYSA-N
XLogP4.36
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,6,8-trimethoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
CID 11394165
methyl 7-ethoxy-1,9-dihydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
CID 10838702
benzhydryl (2R)-2-[(1,9,11-trimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoate
CID 10532704
1,3,8-trimethoxy-6-methylanthracene-9,10-dione
CID 7330510
methyl (8E)-1-methoxy-8-(methoxymethylidene)-3-methyl-7-methylidene-5,6-dihydronaphthalene-2-carboxylate
CID 15814275
3-(ethylaminomethyl)-1,6,8-trimethoxyanthracene-9,10-dione
CID 14563125
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 1-hydroxy-7,12-dimethoxy-3-methyl-5,6-dihydrobenzo[a]anthracene-2-carboxylate
CID 11025259
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
3-(2-bromoethyl)-1,6,8-trimethoxyanthracene-9,10-dione
CID 174622145
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione
CID 163080913

Frequently Asked Questions

What is the IUPAC name of methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate?
The IUPAC name of methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate (CID 11005618) is methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate.
What is the SMILES notation for methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate?
The canonical SMILES for methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate is COC(=O)c1c(C)cc2c(c1OC)-c1cc3c(c(OC)c1CC2)C(=O)c1c(OC)cc(OC)cc1C3=O.
What is the InChIKey of methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate?
The InChIKey is RAMHBAWMHUKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O8/c1-13-9-14-7-8-16-17(22(14)28(36-5)21(13)29(32)37-6)12-19-24(27(16)35-4)26(31)23-18(25(19)30)10-15(33-2)11-20(23)34-3/h9-12H,7-8H2,1-6H3.
What are the key properties of methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate?
methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate has a molecular weight of 502.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,7,9,11-tetramethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate is sourced from PubChem (CID 11005618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).