2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride

C16H16Cl2N2O2 — CID 44522076

IUPAC2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCO)c2c1.Cl
InChIInChI=1S/C16H15ClN2O2.ClH/c1-21-11-3-5-14-13(9-11)16(18-6-7-20)12-4-2-10(17)8-15(12)19-14;/h2-5,8-9,20H,6-7H2,1H3,(H,18,19);1H
InChIKeyPVTMANILJUNPQN-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.88
Rot. Bonds4

About 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride

2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride (PubChem CID 44522076) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride
PubChem CID44522076
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCO)c2c1.Cl
InChIInChI=1S/C16H15ClN2O2.ClH/c1-21-11-3-5-14-13(9-11)16(18-6-7-20)12-4-2-10(17)8-15(12)19-14;/h2-5,8-9,20H,6-7H2,1H3,(H,18,19);1H
InChIKeyPVTMANILJUNPQN-UHFFFAOYSA-N
XLogP3.88
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.88
H-Bond Donors ≤ 52
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 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride (CID 44522076) is 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride is COc1ccc2nc3cc(Cl)ccc3c(NCCO)c2c1.Cl.
What is the InChIKey of 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride?
The InChIKey is PVTMANILJUNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2.ClH/c1-21-11-3-5-14-13(9-11)16(18-6-7-20)12-4-2-10(17)8-15(12)19-14;/h2-5,8-9,20H,6-7H2,1H3,(H,18,19);1H.
What are the key properties of 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride?
2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride has a molecular weight of 339.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 44522076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).