N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride

C21H27Cl4N3O — CID 8971

IUPACN'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride
SMILESCCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl
InChIInChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H
InChIKeyPWGOWIIEVDAYTC-UHFFFAOYSA-N
MW479.28 g/mol
LogP6.26
Rot. Bonds9

About N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride

N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride (PubChem CID 8971) has the molecular formula C21H27Cl4N3O and a molecular weight of 479.28 g/mol. Its IUPAC name is N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride
PubChem CID8971
Molecular FormulaC21H27Cl4N3O
Molecular Weight479.28 g/mol
Exact Mass477.09
IUPAC NameN'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride
SMILESCCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl
InChIInChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H
InChIKeyPWGOWIIEVDAYTC-UHFFFAOYSA-N
XLogP6.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.28
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;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

Quinacrine Dihydrochloride
CID 6239
(+-)-Quinacrine
CID 237
6-Chloro-2-methoxy-9-acridinamine
CID 19080
Quinacrine dihydrochloride dihydrate
CID 2725002
(R)-quinacrine
CID 446536
7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
N1-(2-Chloroethyl)-N3-(6-chloro-2-methoxy-9-acridinyl)-1,3-propanediamine
CID 28241
4-((6-Chloro-2-methoxyacridin-9(10H)-ylidene)amino)-N,N-diethylpentan-1-amine--hydrogen chloride (1/1)
CID 5351141
7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
N1,N1-Bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine
CID 20194
Icr 191
CID 54606642

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride (CID 8971) is N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride is CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.Cl.Cl.
What is the InChIKey of N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is PWGOWIIEVDAYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H.
What are the key properties of N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride?
N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 479.28 g/mol, XLogP of 6.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 8971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).