6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine

C22H19ClN2O2 — CID 101124554

IUPAC6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine
SMILESCOc1ccc(CNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1
InChIInChI=1S/C22H19ClN2O2/c1-26-16-6-3-14(4-7-16)13-24-22-18-9-5-15(23)11-21(18)25-20-10-8-17(27-2)12-19(20)22/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyIWEUROYORCGPOF-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.67
Rot. Bonds5

About 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine

6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine (PubChem CID 101124554) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine.

Molecular Properties

Compound Name6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine
PubChem CID101124554
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine
SMILESCOc1ccc(CNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1
InChIInChI=1S/C22H19ClN2O2/c1-26-16-6-3-14(4-7-16)13-24-22-18-9-5-15(23)11-21(18)25-20-10-8-17(27-2)12-19(20)22/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyIWEUROYORCGPOF-UHFFFAOYSA-N
XLogP5.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)methyl]acridin-9-amine?
The IUPAC name of 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine (CID 101124554) is 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine.
What is the SMILES notation for 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine?
The canonical SMILES for 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine is COc1ccc(CNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1.
What is the InChIKey of 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine?
The InChIKey is IWEUROYORCGPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-26-16-6-3-14(4-7-16)13-24-22-18-9-5-15(23)11-21(18)25-20-10-8-17(27-2)12-19(20)22/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine?
6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine has a molecular weight of 378.86 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]acridin-9-amine is sourced from PubChem (CID 101124554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).