6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine

C25H25ClN2O3 — CID 4831555

IUPAC6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N(C)CCc3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C25H25ClN2O3/c1-28(12-11-16-5-10-23(30-3)24(13-16)31-4)25-19-8-6-17(26)14-22(19)27-21-9-7-18(29-2)15-20(21)25/h5-10,13-15H,11-12H2,1-4H3
InChIKeyJSIGEHVKICPRGW-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.75
Rot. Bonds7

About 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine

6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine (PubChem CID 4831555) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine
PubChem CID4831555
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N(C)CCc3ccc(OC)c(OC)c3)c2c1
InChIInChI=1S/C25H25ClN2O3/c1-28(12-11-16-5-10-23(30-3)24(13-16)31-4)25-19-8-6-17(26)14-22(19)27-21-9-7-18(29-2)15-20(21)25/h5-10,13-15H,11-12H2,1-4H3
InChIKeyJSIGEHVKICPRGW-UHFFFAOYSA-N
XLogP5.75
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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'-diethyl-N-methylbutane-1,4-diamine
CID 71471687
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
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-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
CID 141333744
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylacridin-9-amine
CID 56846683
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine
CID 141235357
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-methylquinolin-2-amine
CID 31196496
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine?
The IUPAC name of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine (CID 4831555) is 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine.
What is the SMILES notation for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine?
The canonical SMILES for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine is COc1ccc2nc3cc(Cl)ccc3c(N(C)CCc3ccc(OC)c(OC)c3)c2c1.
What is the InChIKey of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine?
The InChIKey is JSIGEHVKICPRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-28(12-11-16-5-10-23(30-3)24(13-16)31-4)25-19-8-6-17(26)14-22(19)27-21-9-7-18(29-2)15-20(21)25/h5-10,13-15H,11-12H2,1-4H3.
What are the key properties of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine?
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine has a molecular weight of 436.94 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylacridin-9-amine is sourced from PubChem (CID 4831555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).