N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine

C22H28ClN3O — CID 22709

IUPACN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C22H28ClN3O/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25)
InChIKeyTXCSDESMIIXNRY-UHFFFAOYSA-N
MW385.94 g/mol
LogP5.58
Rot. Bonds9

About N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine (PubChem CID 22709) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
PubChem CID22709
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
SMILESCCN(CC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C22H28ClN3O/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25)
InChIKeyTXCSDESMIIXNRY-UHFFFAOYSA-N
XLogP5.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 55.58
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[11-[(6-chloro-2-methoxyacridin-9-yl)amino]undecyl]-N'-methylpentadecane-1,15-diamine
CID 154727097
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
CID 71471687
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine?
The IUPAC name of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine (CID 22709) is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine.
What is the SMILES notation for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine?
The canonical SMILES for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine is CCN(CC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine?
The InChIKey is TXCSDESMIIXNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-4-26(5-2)13-7-6-12-24-22-18-10-8-16(23)14-21(18)25-20-11-9-17(27-3)15-19(20)22/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,25).
What are the key properties of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine?
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine has a molecular weight of 385.94 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine is sourced from PubChem (CID 22709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).