4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride

C25H31ClN4O — CID 122185533

IUPAC4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C25H30N4O.ClH/c1-29(2)19-14-12-18(13-15-19)25(30)27-17-7-16-26-24-20-8-3-5-10-22(20)28-23-11-6-4-9-21(23)24;/h3,5,8,10,12-15H,4,6-7,9,11,16-17H2,1-2H3,(H,26,28)(H,27,30);1H
InChIKeyYKUSXCRXKNMUMG-UHFFFAOYSA-N
MW439.00 g/mol
LogP4.83
Rot. Bonds7

About 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride

4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride (PubChem CID 122185533) has the molecular formula C25H31ClN4O and a molecular weight of 439.00 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
PubChem CID122185533
Molecular FormulaC25H31ClN4O
Molecular Weight439.00 g/mol
Exact Mass438.22
IUPAC Name4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C25H30N4O.ClH/c1-29(2)19-14-12-18(13-15-19)25(30)27-17-7-16-26-24-20-8-3-5-10-22(20)28-23-11-6-4-9-21(23)24;/h3,5,8,10,12-15H,4,6-7,9,11,16-17H2,1-2H3,(H,26,28)(H,27,30);1H
InChIKeyYKUSXCRXKNMUMG-UHFFFAOYSA-N
XLogP4.83
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 53361168
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide
CID 155666132
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
S-[1-oxo-1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propylamino]propan-2-yl] ethanethioate
CID 66549587
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
1-methyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 118717407
N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
CID 10959176
(2E,4E)-5-phenyl-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]penta-2,4-dienamide
CID 122387165
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride (CID 122185533) is 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride is CN(C)c1ccc(C(=O)NCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl.
What is the InChIKey of 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride?
The InChIKey is YKUSXCRXKNMUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O.ClH/c1-29(2)19-14-12-18(13-15-19)25(30)27-17-7-16-26-24-20-8-3-5-10-22(20)28-23-11-6-4-9-21(23)24;/h3,5,8,10,12-15H,4,6-7,9,11,16-17H2,1-2H3,(H,26,28)(H,27,30);1H.
What are the key properties of 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride?
4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride has a molecular weight of 439.00 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 122185533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).