6-chloro-2-methoxy-N,N-dimethylacridin-9-amine

C16H15ClN2O — CID 71406674

IUPAC6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N(C)C)c2c1
InChIInChI=1S/C16H15ClN2O/c1-19(2)16-12-6-4-10(17)8-15(12)18-14-7-5-11(20-3)9-13(14)16/h4-9H,1-3H3
InChIKeyVTEXCHXYQCGFGE-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.12
Rot. Bonds2

About 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine

6-chloro-2-methoxy-N,N-dimethylacridin-9-amine (PubChem CID 71406674) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine.

Molecular Properties

Compound Name6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
PubChem CID71406674
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N(C)C)c2c1
InChIInChI=1S/C16H15ClN2O/c1-19(2)16-12-6-4-10(17)8-15(12)18-14-7-5-11(20-3)9-13(14)16/h4-9H,1-3H3
InChIKeyVTEXCHXYQCGFGE-UHFFFAOYSA-N
XLogP4.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine?
The IUPAC name of 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine (CID 71406674) is 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine.
What is the SMILES notation for 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine?
The canonical SMILES for 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine is COc1ccc2nc3cc(Cl)ccc3c(N(C)C)c2c1.
What is the InChIKey of 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine?
The InChIKey is VTEXCHXYQCGFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-19(2)16-12-6-4-10(17)8-15(12)18-14-7-5-11(20-3)9-13(14)16/h4-9H,1-3H3.
What are the key properties of 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine?
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine has a molecular weight of 286.76 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N,N-dimethylacridin-9-amine is sourced from PubChem (CID 71406674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).