ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate

C16H17NO3 — CID 23931097

IUPACethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c(=O)c2c1)CCCC3
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)10-7-8-14-12(9-10)15(18)11-5-3-4-6-13(11)17-14/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyWANNVKIAFONDTO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.58
Rot. Bonds2

About ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate

ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate (PubChem CID 23931097) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate
PubChem CID23931097
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c(=O)c2c1)CCCC3
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)10-7-8-14-12(9-10)15(18)11-5-3-4-6-13(11)17-14/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyWANNVKIAFONDTO-UHFFFAOYSA-N
XLogP2.58
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate?
The IUPAC name of ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate (CID 23931097) is ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate.
What is the SMILES notation for ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate?
The canonical SMILES for ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate is CCOC(=O)c1ccc2[nH]c3c(c(=O)c2c1)CCCC3.
What is the InChIKey of ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate?
The InChIKey is WANNVKIAFONDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-16(19)10-7-8-14-12(9-10)15(18)11-5-3-4-6-13(11)17-14/h7-9H,2-6H2,1H3,(H,17,18).
What are the key properties of ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate?
ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate is sourced from PubChem (CID 23931097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).