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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Related Compounds

9-(hydroxyamino)-3,4-dihydro-2H-acridin-1-one
CID 54496209
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
9-(ethylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one;hydrochloride
CID 44668985
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3H-quinazolin-4-one
CID 137258168
2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
CID 3905231
1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine
CID 174981001
2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]quinazolin-4-one
CID 101064428
3-(hydroxymethyl)-9-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 123668562
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1-phenylethanol
CID 65475457

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).