(5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate

C21H19NO5 — CID 2626979

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCCC3)o1
InChIInChI=1S/C21H19NO5/c1-25-20(23)18-11-10-13(27-18)12-26-21(24)19-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19/h2,4,6,8,10-11H,3,5,7,9,12H2,1H3
InChIKeySFVLDBMXZTUWJY-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.85
Rot. Bonds4

About (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 2626979) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID2626979
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCCC3)o1
InChIInChI=1S/C21H19NO5/c1-25-20(23)18-11-10-13(27-18)12-26-21(24)19-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19/h2,4,6,8,10-11H,3,5,7,9,12H2,1H3
InChIKeySFVLDBMXZTUWJY-UHFFFAOYSA-N
XLogP3.85
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate (CID 2626979) is (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate is COC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CCCC3)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is SFVLDBMXZTUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-25-20(23)18-11-10-13(27-18)12-26-21(24)19-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19/h2,4,6,8,10-11H,3,5,7,9,12H2,1H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 2626979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).