[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C23H24N2O3S — CID 30655719

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OCC(=O)N(C)Cc4cccs4)c2c1)CCCC3
InChIInChI=1S/C23H24N2O3S/c1-15-9-10-20-18(12-15)22(17-7-3-4-8-19(17)24-20)23(27)28-14-21(26)25(2)13-16-6-5-11-29-16/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3
InChIKeyAQFMNGVPNUJFPN-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.30
Rot. Bonds5

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 30655719) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID30655719
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OCC(=O)N(C)Cc4cccs4)c2c1)CCCC3
InChIInChI=1S/C23H24N2O3S/c1-15-9-10-20-18(12-15)22(17-7-3-4-8-19(17)24-20)23(27)28-14-21(26)25(2)13-16-6-5-11-29-16/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3
InChIKeyAQFMNGVPNUJFPN-UHFFFAOYSA-N
XLogP4.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16578750
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789225
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789222
oxolan-2-ylmethyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600369
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18138403
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46528767
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2483538
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889975
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530941
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-cyanobenzoate
CID 18080870

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 30655719) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is Cc1ccc2nc3c(c(C(=O)OCC(=O)N(C)Cc4cccs4)c2c1)CCCC3.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is AQFMNGVPNUJFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15-9-10-20-18(12-15)22(17-7-3-4-8-19(17)24-20)23(27)28-14-21(26)25(2)13-16-6-5-11-29-16/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 408.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 30655719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).