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

C23H30ClN3O — CID 71471687

IUPACN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
SMILESCCN(CC)CCCCN(C)c1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C23H30ClN3O/c1-5-27(6-2)14-8-7-13-26(3)23-19-11-9-17(24)15-22(19)25-21-12-10-18(28-4)16-20(21)23/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyOJPRFHWXQYPJEG-UHFFFAOYSA-N
MW399.97 g/mol
LogP5.61
Rot. Bonds9

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

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine (PubChem CID 71471687) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
PubChem CID71471687
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC NameN-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
SMILESCCN(CC)CCCCN(C)c1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C23H30ClN3O/c1-5-27(6-2)14-8-7-13-26(3)23-19-11-9-17(24)15-22(19)25-21-12-10-18(28-4)16-20(21)23/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyOJPRFHWXQYPJEG-UHFFFAOYSA-N
XLogP5.61
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.97
LogP ≤ 55.61
H-Bond Donors ≤ 50
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'}

Analyze N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine 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

N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
4-(6-chloro-2-methoxyacridin-9-yl)sulfanyl-N,N-diethylbutan-1-amine
CID 10431251
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine
CID 4831555
(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
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;methanesulfonic acid
CID 23616783
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[11-[(6-chloro-2-methoxyacridin-9-yl)amino]undecyl]-N'-methylpentadecane-1,15-diamine
CID 154727097
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine azide
CID 21151312
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine?
The IUPAC name of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine (CID 71471687) is N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine.
What is the SMILES notation for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine?
The canonical SMILES for N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine is CCN(CC)CCCCN(C)c1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine?
The InChIKey is OJPRFHWXQYPJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-5-27(6-2)14-8-7-13-26(3)23-19-11-9-17(24)15-22(19)25-21-12-10-18(28-4)16-20(21)23/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine?
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine has a molecular weight of 399.97 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 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'-diethyl-N-methylbutane-1,4-diamine is sourced from PubChem (CID 71471687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).