[3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol

C21H19N3O — CID 10520399

IUPAC[3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol
SMILESCc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12
InChIInChI=1S/C21H19N3O/c1-13-5-4-7-18-20(13)24-19-8-3-2-6-17(19)21(18)23-16-10-14(12-25)9-15(22)11-16/h2-11,25H,12,22H2,1H3,(H,23,24)
InChIKeyXHBYURUZBMRTPH-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.51
Rot. Bonds3

About [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol

[3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol (PubChem CID 10520399) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol
PubChem CID10520399
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name[3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol
SMILESCc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12
InChIInChI=1S/C21H19N3O/c1-13-5-4-7-18-20(13)24-19-8-3-2-6-17(19)21(18)23-16-10-14(12-25)9-15(22)11-16/h2-11,25H,12,22H2,1H3,(H,23,24)
InChIKeyXHBYURUZBMRTPH-UHFFFAOYSA-N
XLogP4.51
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol 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-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol?
The IUPAC name of [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol (CID 10520399) is [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol?
The canonical SMILES for [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol is Cc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12.
What is the InChIKey of [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol?
The InChIKey is XHBYURUZBMRTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-13-5-4-7-18-20(13)24-19-8-3-2-6-17(19)21(18)23-16-10-14(12-25)9-15(22)11-16/h2-11,25H,12,22H2,1H3,(H,23,24).
What are the key properties of [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol?
[3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol has a molecular weight of 329.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[(4-methylacridin-9-yl)amino]phenyl]methanol is sourced from PubChem (CID 10520399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).