3-(acridin-9-ylamino)phenol;hydrochloride

C19H15ClN2O — CID 2790527

IUPAC3-(acridin-9-ylamino)phenol;hydrochloride
SMILESCl.Oc1cccc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C19H14N2O.ClH/c22-14-7-5-6-13(12-14)20-19-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)19;/h1-12,22H,(H,20,21);1H
InChIKeyOPRKTJNXKRWAMZ-UHFFFAOYSA-N
MW322.80 g/mol
LogP5.26
Rot. Bonds2

About 3-(acridin-9-ylamino)phenol;hydrochloride

3-(acridin-9-ylamino)phenol;hydrochloride (PubChem CID 2790527) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 3-(acridin-9-ylamino)phenol;hydrochloride.

Molecular Properties

Compound Name3-(acridin-9-ylamino)phenol;hydrochloride
PubChem CID2790527
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name3-(acridin-9-ylamino)phenol;hydrochloride
SMILESCl.Oc1cccc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C19H14N2O.ClH/c22-14-7-5-6-13(12-14)20-19-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)19;/h1-12,22H,(H,20,21);1H
InChIKeyOPRKTJNXKRWAMZ-UHFFFAOYSA-N
XLogP5.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.80
LogP ≤ 55.26
H-Bond Donors ≤ 52
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'}

Analyze 3-(acridin-9-ylamino)phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(acridin-9-ylamino)phenol;hydrochloride?
The IUPAC name of 3-(acridin-9-ylamino)phenol;hydrochloride (CID 2790527) is 3-(acridin-9-ylamino)phenol;hydrochloride.
What is the SMILES notation for 3-(acridin-9-ylamino)phenol;hydrochloride?
The canonical SMILES for 3-(acridin-9-ylamino)phenol;hydrochloride is Cl.Oc1cccc(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 3-(acridin-9-ylamino)phenol;hydrochloride?
The InChIKey is OPRKTJNXKRWAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O.ClH/c22-14-7-5-6-13(12-14)20-19-15-8-1-3-10-17(15)21-18-11-4-2-9-16(18)19;/h1-12,22H,(H,20,21);1H.
What are the key properties of 3-(acridin-9-ylamino)phenol;hydrochloride?
3-(acridin-9-ylamino)phenol;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acridin-9-ylamino)phenol;hydrochloride is sourced from PubChem (CID 2790527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).