N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride

C21H31Cl2N3O — CID 3087110

IUPACN-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
SMILESCCN(CC)CCCNC(=O)c1c2c(nc3ccccc13)CCCC2.Cl.Cl
InChIInChI=1S/C21H29N3O.2ClH/c1-3-24(4-2)15-9-14-22-21(25)20-16-10-5-7-12-18(16)23-19-13-8-6-11-17(19)20;;/h5,7,10,12H,3-4,6,8-9,11,13-15H2,1-2H3,(H,22,25);2*1H
InChIKeyUROIWHVQOKGXLZ-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.42
Rot. Bonds7

About N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride

N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride (PubChem CID 3087110) has the molecular formula C21H31Cl2N3O and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
PubChem CID3087110
Molecular FormulaC21H31Cl2N3O
Molecular Weight412.41 g/mol
Exact Mass411.18
IUPAC NameN-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride
SMILESCCN(CC)CCCNC(=O)c1c2c(nc3ccccc13)CCCC2.Cl.Cl
InChIInChI=1S/C21H29N3O.2ClH/c1-3-24(4-2)15-9-14-22-21(25)20-16-10-5-7-12-18(16)23-19-13-8-6-11-17(19)20;;/h5,7,10,12H,3-4,6,8-9,11,13-15H2,1-2H3,(H,22,25);2*1H
InChIKeyUROIWHVQOKGXLZ-UHFFFAOYSA-N
XLogP4.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl-[2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)ethyl]azanium
CID 7434626
methyl 5-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pentanoate
CID 51126378
N-[6-(hydroxyamino)-6-oxohexyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 86293233
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 21239903
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 75401963
N-prop-2-enyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46531624
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N'-(2-chloroethyl)-N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 21153756
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(2-hydroxyethyl)-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 21239923
N-[2-(2-oxoazepan-1-yl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 71896095
N-[3-[benzyl(ethyl)amino]propyl]-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873734

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride (CID 3087110) is N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride is CCN(CC)CCCNC(=O)c1c2c(nc3ccccc13)CCCC2.Cl.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride?
The InChIKey is UROIWHVQOKGXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O.2ClH/c1-3-24(4-2)15-9-14-22-21(25)20-16-10-5-7-12-18(16)23-19-13-8-6-11-17(19)20;;/h5,7,10,12H,3-4,6,8-9,11,13-15H2,1-2H3,(H,22,25);2*1H.
What are the key properties of N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride?
N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride has a molecular weight of 412.41 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide;dihydrochloride is sourced from PubChem (CID 3087110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).