[2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

C23H22N2O4 — CID 7214952

IUPAC[2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCNC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)C[C@H](C)C2
InChIInChI=1S/C23H22N2O4/c1-14-10-15(12-16-6-5-9-28-16)22-18(11-14)21(23(27)29-13-20(26)24-2)17-7-3-4-8-19(17)25-22/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyYMSAKTGHTGAPOK-AWEZNQCLSA-N
MW390.44 g/mol
LogP3.85
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

[2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 7214952) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID7214952
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCNC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)C[C@H](C)C2
InChIInChI=1S/C23H22N2O4/c1-14-10-15(12-16-6-5-9-28-16)22-18(11-14)21(23(27)29-13-20(26)24-2)17-7-3-4-8-19(17)25-22/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyYMSAKTGHTGAPOK-AWEZNQCLSA-N
XLogP3.85
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxopropyl (4E)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 42970190
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 4794754
[2-(methylamino)-2-oxoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7959870
(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7716509
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8575531
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 98416291
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3580671
[2-(tert-butylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 6245326
(2-ethoxy-2-oxoethyl) (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 27015346
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8575528
(3,3-dimethyl-2-oxobutyl) (2S,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7198861
(3,3-dimethyl-2-oxobutyl) 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 5175008

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate (CID 7214952) is [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate is CNC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)C[C@H](C)C2.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is YMSAKTGHTGAPOK-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14-10-15(12-16-6-5-9-28-16)22-18(11-14)21(23(27)29-13-20(26)24-2)17-7-3-4-8-19(17)25-22/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,26)/t14-/m0/s1.
What are the key properties of [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate?
[2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 7214952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).