methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate

C22H20N2O3 — CID 9247815

IUPACmethyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C22H20N2O3/c1-27-22(26)14-10-12-15(13-11-14)23-21(25)20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,23,25)
InChIKeyUDZZPIKLYLKPQB-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.15
Rot. Bonds3

About methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate

methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate (PubChem CID 9247815) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
PubChem CID9247815
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Namemethyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C22H20N2O3/c1-27-22(26)14-10-12-15(13-11-14)23-21(25)20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,23,25)
InChIKeyUDZZPIKLYLKPQB-UHFFFAOYSA-N
XLogP4.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
methyl 4-chloro-3-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)benzoate
CID 55338596
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
methyl 2-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)-1,3-thiazole-5-carboxylate
CID 18103618
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 55864343
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 8961124
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
[(2R)-1-anilino-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2627743

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate?
The IUPAC name of methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate (CID 9247815) is methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate?
The InChIKey is UDZZPIKLYLKPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-22(26)14-10-12-15(13-11-14)23-21(25)20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,23,25).
What are the key properties of methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate?
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate has a molecular weight of 360.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate is sourced from PubChem (CID 9247815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).