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

C21H19N3O2 — CID 10545469

IUPAC[3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol
SMILESCOc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12
InChIInChI=1S/C21H19N3O2/c1-26-19-8-4-6-17-20(16-5-2-3-7-18(16)24-21(17)19)23-15-10-13(12-25)9-14(22)11-15/h2-11,25H,12,22H2,1H3,(H,23,24)
InChIKeyKUFSXYWVHAVPHP-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.21
Rot. Bonds4

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

[3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol (PubChem CID 10545469) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol
PubChem CID10545469
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name[3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol
SMILESCOc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12
InChIInChI=1S/C21H19N3O2/c1-26-19-8-4-6-17-20(16-5-2-3-7-18(16)24-21(17)19)23-15-10-13(12-25)9-14(22)11-15/h2-11,25H,12,22H2,1H3,(H,23,24)
InChIKeyKUFSXYWVHAVPHP-UHFFFAOYSA-N
XLogP4.21
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol?
The IUPAC name of [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol (CID 10545469) is [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol?
The canonical SMILES for [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol is COc1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12.
What is the InChIKey of [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol?
The InChIKey is KUFSXYWVHAVPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-19-8-4-6-17-20(16-5-2-3-7-18(16)24-21(17)19)23-15-10-13(12-25)9-14(22)11-15/h2-11,25H,12,22H2,1H3,(H,23,24).
What are the key properties of [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol?
[3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol has a molecular weight of 345.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[(4-methoxyacridin-9-yl)amino]phenyl]methanol is sourced from PubChem (CID 10545469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).