N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide

C22H26ClN3O2 — CID 118144265

IUPACN-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide
SMILESCCN(CCCCNc1c2ccc(Cl)cc2nc2cccc(OC)c12)C(C)=O
InChIInChI=1S/C22H26ClN3O2/c1-4-26(15(2)27)13-6-5-12-24-22-17-11-10-16(23)14-19(17)25-18-8-7-9-20(28-3)21(18)22/h7-11,14H,4-6,12-13H2,1-3H3,(H,24,25)
InChIKeyLPVQXWLXUABVAN-UHFFFAOYSA-N
MW399.92 g/mol
LogP5.11
Rot. Bonds8

About N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide

N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide (PubChem CID 118144265) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide
PubChem CID118144265
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide
SMILESCCN(CCCCNc1c2ccc(Cl)cc2nc2cccc(OC)c12)C(C)=O
InChIInChI=1S/C22H26ClN3O2/c1-4-26(15(2)27)13-6-5-12-24-22-17-11-10-16(23)14-19(17)25-18-8-7-9-20(28-3)21(18)22/h7-11,14H,4-6,12-13H2,1-3H3,(H,24,25)
InChIKeyLPVQXWLXUABVAN-UHFFFAOYSA-N
XLogP5.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide?
The IUPAC name of N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide (CID 118144265) is N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide is CCN(CCCCNc1c2ccc(Cl)cc2nc2cccc(OC)c12)C(C)=O.
What is the InChIKey of N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide?
The InChIKey is LPVQXWLXUABVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-4-26(15(2)27)13-6-5-12-24-22-17-11-10-16(23)14-19(17)25-18-8-7-9-20(28-3)21(18)22/h7-11,14H,4-6,12-13H2,1-3H3,(H,24,25).
What are the key properties of N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide?
N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide has a molecular weight of 399.92 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-1-methoxyacridin-9-yl)amino]butyl]-N-ethylacetamide is sourced from PubChem (CID 118144265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).