9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one

C21H20N2O2 — CID 54559789

IUPAC9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one
SMILESO=C1CCCc2nc3ccccc3c(NCC(O)c3ccccc3)c21
InChIInChI=1S/C21H20N2O2/c24-18-12-6-11-17-20(18)21(15-9-4-5-10-16(15)23-17)22-13-19(25)14-7-2-1-3-8-14/h1-5,7-10,19,25H,6,11-13H2,(H,22,23)
InChIKeyZPSMYBKLWYFBAV-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.90
Rot. Bonds4

About 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one

9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one (PubChem CID 54559789) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one
PubChem CID54559789
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one
SMILESO=C1CCCc2nc3ccccc3c(NCC(O)c3ccccc3)c21
InChIInChI=1S/C21H20N2O2/c24-18-12-6-11-17-20(18)21(15-9-4-5-10-16(15)23-17)22-13-19(25)14-7-2-1-3-8-14/h1-5,7-10,19,25H,6,11-13H2,(H,22,23)
InChIKeyZPSMYBKLWYFBAV-UHFFFAOYSA-N
XLogP3.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one (CID 54559789) is 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one is O=C1CCCc2nc3ccccc3c(NCC(O)c3ccccc3)c21.
What is the InChIKey of 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one?
The InChIKey is ZPSMYBKLWYFBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-18-12-6-11-17-20(18)21(15-9-4-5-10-16(15)23-17)22-13-19(25)14-7-2-1-3-8-14/h1-5,7-10,19,25H,6,11-13H2,(H,22,23).
What are the key properties of 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one?
9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one has a molecular weight of 332.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-hydroxy-2-phenylethyl)amino]-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 54559789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).