1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C22H18N2O3 — CID 4780233

IUPAC1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCC(C#N)OC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2
InChIInChI=1S/C22H18N2O3/c1-14(13-23)27-22(25)20-17-8-2-3-10-19(17)24-21-15(6-4-9-18(20)21)12-16-7-5-11-26-16/h2-3,5,7-8,10-12,14H,4,6,9H2,1H3
InChIKeyCJJYBJKTVIQAIX-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.77
Rot. Bonds3

About 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 4780233) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID4780233
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCC(C#N)OC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2
InChIInChI=1S/C22H18N2O3/c1-14(13-23)27-22(25)20-17-8-2-3-10-19(17)24-21-15(6-4-9-18(20)21)12-16-7-5-11-26-16/h2-3,5,7-8,10-12,14H,4,6,9H2,1H3
InChIKeyCJJYBJKTVIQAIX-UHFFFAOYSA-N
XLogP4.77
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-cyanoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7240877
[2-(methylamino)-2-oxoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7959870
[1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3655647
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 29405400
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 98420140
(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide
CID 98597111
1-cyanoethyl (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 18276534
2-phenoxyethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 5010246
[(1R)-1-cyanoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7440202
[2-(tert-butylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 6245326
(3E)-3-(furan-2-ylmethylidene)-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 95568888
(4-tert-butyl-2,6-dimethylphenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3326222

Frequently Asked Questions

What is the IUPAC name of 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 4780233) is 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is CC(C#N)OC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2.
What is the InChIKey of 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is CJJYBJKTVIQAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14(13-23)27-22(25)20-17-8-2-3-10-19(17)24-21-15(6-4-9-18(20)21)12-16-7-5-11-26-16/h2-3,5,7-8,10-12,14H,4,6,9H2,1H3.
What are the key properties of 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?
1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 4780233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).