ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate

C20H25NO3 — CID 143617162

IUPACethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
SMILESCC.CC.COC(=O)c1cccc2c(=O)c3c(C)cccc3[nH]c12
InChIInChI=1S/C16H13NO3.2C2H6/c1-9-5-3-8-12-13(9)15(18)10-6-4-7-11(14(10)17-12)16(19)20-2;2*1-2/h3-8H,1-2H3,(H,17,18);2*1-2H3
InChIKeyQEGQSMISBJXLHA-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.83
Rot. Bonds1

About ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate

ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate (PubChem CID 143617162) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
PubChem CID143617162
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
SMILESCC.CC.COC(=O)c1cccc2c(=O)c3c(C)cccc3[nH]c12
InChIInChI=1S/C16H13NO3.2C2H6/c1-9-5-3-8-12-13(9)15(18)10-6-4-7-11(14(10)17-12)16(19)20-2;2*1-2/h3-8H,1-2H3,(H,17,18);2*1-2H3
InChIKeyQEGQSMISBJXLHA-UHFFFAOYSA-N
XLogP4.83
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 10593388
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
3,22-dimethyl-8,17-diazatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene-9,16-dione
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methyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate?
The IUPAC name of ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate (CID 143617162) is ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate.
What is the SMILES notation for ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate?
The canonical SMILES for ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate is CC.CC.COC(=O)c1cccc2c(=O)c3c(C)cccc3[nH]c12.
What is the InChIKey of ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate?
The InChIKey is QEGQSMISBJXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3.2C2H6/c1-9-5-3-8-12-13(9)15(18)10-6-4-7-11(14(10)17-12)16(19)20-2;2*1-2/h3-8H,1-2H3,(H,17,18);2*1-2H3.
What are the key properties of ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate?
ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate has a molecular weight of 327.42 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate is sourced from PubChem (CID 143617162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).