N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide

C21H17ClN2O3 — CID 46256249

IUPACN-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C21H17ClN2O3/c22-20-14-3-1-2-4-16(14)24-17-9-12(5-7-15(17)20)21(25)23-13-6-8-18-19(10-13)27-11-26-18/h5-10H,1-4,11H2,(H,23,25)
InChIKeyVSAODDWKVHIZIO-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.75
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 46256249) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID46256249
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C21H17ClN2O3/c22-20-14-3-1-2-4-16(14)24-17-9-12(5-7-15(17)20)21(25)23-13-6-8-18-19(10-13)27-11-26-18/h5-10H,1-4,11H2,(H,23,25)
InChIKeyVSAODDWKVHIZIO-UHFFFAOYSA-N
XLogP4.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 12004933
9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619703
9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257955
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799559
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256306
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
N-(3-amino-4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16775406
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
CID 61092953
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46563844

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 46256249) is N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(Cl)c3c(nc2c1)CCCC3.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is VSAODDWKVHIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-20-14-3-1-2-4-16(14)24-17-9-12(5-7-15(17)20)21(25)23-13-6-8-18-19(10-13)27-11-26-18/h5-10H,1-4,11H2,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 46256249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).