(3-aminoacridin-4-yl)methanol

C14H12N2O — CID 10443606

IUPAC(3-aminoacridin-4-yl)methanol
SMILESNc1ccc2cc3ccccc3nc2c1CO
InChIInChI=1S/C14H12N2O/c15-12-6-5-10-7-9-3-1-2-4-13(9)16-14(10)11(12)8-17/h1-7,17H,8,15H2
InChIKeyVIGUTMAIGWMVBQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.46
Rot. Bonds1

About (3-aminoacridin-4-yl)methanol

(3-aminoacridin-4-yl)methanol (PubChem CID 10443606) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-aminoacridin-4-yl)methanol.

Molecular Properties

Compound Name(3-aminoacridin-4-yl)methanol
PubChem CID10443606
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(3-aminoacridin-4-yl)methanol
SMILESNc1ccc2cc3ccccc3nc2c1CO
InChIInChI=1S/C14H12N2O/c15-12-6-5-10-7-9-3-1-2-4-13(9)16-14(10)11(12)8-17/h1-7,17H,8,15H2
InChIKeyVIGUTMAIGWMVBQ-UHFFFAOYSA-N
XLogP2.46
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-aminoacridin-4-yl)methanol?
The IUPAC name of (3-aminoacridin-4-yl)methanol (CID 10443606) is (3-aminoacridin-4-yl)methanol.
What is the SMILES notation for (3-aminoacridin-4-yl)methanol?
The canonical SMILES for (3-aminoacridin-4-yl)methanol is Nc1ccc2cc3ccccc3nc2c1CO.
What is the InChIKey of (3-aminoacridin-4-yl)methanol?
The InChIKey is VIGUTMAIGWMVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-12-6-5-10-7-9-3-1-2-4-13(9)16-14(10)11(12)8-17/h1-7,17H,8,15H2.
What are the key properties of (3-aminoacridin-4-yl)methanol?
(3-aminoacridin-4-yl)methanol has a molecular weight of 224.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoacridin-4-yl)methanol is sourced from PubChem (CID 10443606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).