4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride

C28H37ClN4O — CID 122185539

IUPAC4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H
InChIKeyFSIJFGRZTJROBL-UHFFFAOYSA-N
MW481.08 g/mol
LogP6.00
Rot. Bonds10

About 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride

4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride (PubChem CID 122185539) has the molecular formula C28H37ClN4O and a molecular weight of 481.08 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride
PubChem CID122185539
Molecular FormulaC28H37ClN4O
Molecular Weight481.08 g/mol
Exact Mass480.27
IUPAC Name4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride
SMILESCN(C)c1ccc(C(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl
InChIInChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H
InChIKeyFSIJFGRZTJROBL-UHFFFAOYSA-N
XLogP6.00
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.08
LogP ≤ 56.00
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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride?
The IUPAC name of 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride (CID 122185539) is 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride is CN(C)c1ccc(C(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.Cl.
What is the InChIKey of 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride?
The InChIKey is FSIJFGRZTJROBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O.ClH/c1-32(2)22-17-15-21(16-18-22)28(33)30-20-10-4-3-9-19-29-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27;/h5,7,11,13,15-18H,3-4,6,8-10,12,14,19-20H2,1-2H3,(H,29,31)(H,30,33);1H.
What are the key properties of 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride?
4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride has a molecular weight of 481.08 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]benzamide;hydrochloride is sourced from PubChem (CID 122185539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).