N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide

C22H19ClN2O2 — CID 12004861

IUPACN-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1
InChIInChI=1S/C22H19ClN2O2/c1-13(26)14-6-9-16(10-7-14)24-22(27)15-8-11-18-20(12-15)25-19-5-3-2-4-17(19)21(18)23/h6-12H,2-5H2,1H3,(H,24,27)
InChIKeyPYBVSTTXLOERMC-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.22
Rot. Bonds3

About N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide

N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 12004861) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID12004861
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1
InChIInChI=1S/C22H19ClN2O2/c1-13(26)14-6-9-16(10-7-14)24-22(27)15-8-11-18-20(12-15)25-19-5-3-2-4-17(19)21(18)23/h6-12H,2-5H2,1H3,(H,24,27)
InChIKeyPYBVSTTXLOERMC-UHFFFAOYSA-N
XLogP5.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
Acetophenone, 4'-(9-acridinylamino)-
CID 51972
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
Propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate
CID 126753798
N-(4-amino-2-propylquinolin-6-yl)-4''-chlorobiphenyl-4-carboxamide
CID 44417832
N-(2-methylquinolin-6-yl)benzamide
CID 702495
1-acetyl-2-chloro-7H-naphtho[1,2,3-de]quinolin-7-one
CID 761589
3-(2-Chloroquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 6112225
2-Chloroquinoline-4-carboxamide
CID 686022
4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride
CID 122185539
4-(dimethylamino)-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]benzamide;hydrochloride
CID 122185543
4-(dimethylamino)-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide;hydrochloride
CID 122185545

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 12004861) is N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1.
What is the InChIKey of N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is PYBVSTTXLOERMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-13(26)14-6-9-16(10-7-14)24-22(27)15-8-11-18-20(12-15)25-19-5-3-2-4-17(19)21(18)23/h6-12H,2-5H2,1H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 12004861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).