(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C23H19NO4S — CID 4310835

IUPAC(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SMILESO=C(OC1CCOC1=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CCC2
InChIInChI=1S/C23H19NO4S/c25-22-19(10-11-27-22)28-23(26)20-16-7-1-2-9-18(16)24-21-14(5-3-8-17(20)21)13-15-6-4-12-29-15/h1-2,4,6-7,9,12-13,19H,3,5,8,10-11H2
InChIKeyUTVMBIHWIHXXLN-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.65
Rot. Bonds3

About (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 4310835) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID4310835
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SMILESO=C(OC1CCOC1=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CCC2
InChIInChI=1S/C23H19NO4S/c25-22-19(10-11-27-22)28-23(26)20-16-7-1-2-9-18(16)24-21-14(5-3-8-17(20)21)13-15-6-4-12-29-15/h1-2,4,6-7,9,12-13,19H,3,5,8,10-11H2
InChIKeyUTVMBIHWIHXXLN-UHFFFAOYSA-N
XLogP4.65
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxooxolan-3-yl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 18777063
cyanomethyl (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7454716
(2-morpholin-4-yl-2-oxoethyl) (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 16535444
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3910478
[(3R)-2-oxooxolan-3-yl] (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7278772
[2-(ethylamino)-2-oxoethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4570503
[(1R)-2-oxocyclohexyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate
CID 7856358
(4-methoxycarbonylphenyl)methyl 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3429530
[2-(methylcarbamoylamino)-2-oxoethyl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 16535438
2-(2-chlorophenoxy)ethyl 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3276166
[2-oxo-2-(propylamino)ethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 6063072
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3584103

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 4310835) is (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is O=C(OC1CCOC1=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CCC2.
What is the InChIKey of (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is UTVMBIHWIHXXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c25-22-19(10-11-27-22)28-23(26)20-16-7-1-2-9-18(16)24-21-14(5-3-8-17(20)21)13-15-6-4-12-29-15/h1-2,4,6-7,9,12-13,19H,3,5,8,10-11H2.
What are the key properties of (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
(2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 405.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 4310835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).