6-chloro-2-methoxy-N-octylacridin-9-amine

C22H27ClN2O — CID 44537218

IUPAC6-chloro-2-methoxy-N-octylacridin-9-amine
SMILESCCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C22H27ClN2O/c1-3-4-5-6-7-8-13-24-22-18-11-9-16(23)14-21(18)25-20-12-10-17(26-2)15-19(20)22/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,25)
InChIKeyQTMUZEIOUGWZFX-UHFFFAOYSA-N
MW370.92 g/mol
LogP6.82
Rot. Bonds9

About 6-chloro-2-methoxy-N-octylacridin-9-amine

6-chloro-2-methoxy-N-octylacridin-9-amine (PubChem CID 44537218) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N-octylacridin-9-amine.

Molecular Properties

Compound Name6-chloro-2-methoxy-N-octylacridin-9-amine
PubChem CID44537218
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name6-chloro-2-methoxy-N-octylacridin-9-amine
SMILESCCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C22H27ClN2O/c1-3-4-5-6-7-8-13-24-22-18-11-9-16(23)14-21(18)25-20-12-10-17(26-2)15-19(20)22/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,25)
InChIKeyQTMUZEIOUGWZFX-UHFFFAOYSA-N
XLogP6.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
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',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685
6-chloro-N-[3-[4-[1-[3-[4-[1-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]-2-methoxyacridin-9-amine
CID 10748934
N-(5-aminopentyl)-12-[(6-chloro-2-methoxyacridin-9-yl)amino]dodecanamide
CID 11513031
6-chloro-2-methoxy-N-(4-piperazin-1-ylbutyl)acridin-9-amine
CID 44531431
6-chloro-9-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylamino]acridin-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 21198481

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-N-octylacridin-9-amine?
The IUPAC name of 6-chloro-2-methoxy-N-octylacridin-9-amine (CID 44537218) is 6-chloro-2-methoxy-N-octylacridin-9-amine.
What is the SMILES notation for 6-chloro-2-methoxy-N-octylacridin-9-amine?
The canonical SMILES for 6-chloro-2-methoxy-N-octylacridin-9-amine is CCCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12.
What is the InChIKey of 6-chloro-2-methoxy-N-octylacridin-9-amine?
The InChIKey is QTMUZEIOUGWZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-3-4-5-6-7-8-13-24-22-18-11-9-16(23)14-21(18)25-20-12-10-17(26-2)15-19(20)22/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,25).
What are the key properties of 6-chloro-2-methoxy-N-octylacridin-9-amine?
6-chloro-2-methoxy-N-octylacridin-9-amine has a molecular weight of 370.92 g/mol, XLogP of 6.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N-octylacridin-9-amine is sourced from PubChem (CID 44537218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).