10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one

C20H23N2O3+ — CID 7337905

IUPAC10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one
SMILESO=c1c2ccccc2n(C[C@H](O)C[NH+]2CCOCC2)c2ccccc12
InChIInChI=1S/C20H22N2O3/c23-15(13-21-9-11-25-12-10-21)14-22-18-7-3-1-5-16(18)20(24)17-6-2-4-8-19(17)22/h1-8,15,23H,9-14H2/p+1/t15-/m1/s1
InChIKeyOBBKJJKSBDHHDY-OAHLLOKOSA-O
MW339.41 g/mol
LogP0.43
Rot. Bonds4

About 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one

10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one (PubChem CID 7337905) has the molecular formula C20H23N2O3+ and a molecular weight of 339.41 g/mol. Its IUPAC name is 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one.

Molecular Properties

Compound Name10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one
PubChem CID7337905
Molecular FormulaC20H23N2O3+
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one
SMILESO=c1c2ccccc2n(C[C@H](O)C[NH+]2CCOCC2)c2ccccc12
InChIInChI=1S/C20H22N2O3/c23-15(13-21-9-11-25-12-10-21)14-22-18-7-3-1-5-16(18)20(24)17-6-2-4-8-19(17)22/h1-8,15,23H,9-14H2/p+1/t15-/m1/s1
InChIKeyOBBKJJKSBDHHDY-OAHLLOKOSA-O
XLogP0.43
TPSA55.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-carbazol-9-yl-3-[4-(4-methylphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 3453566
(2S)-1-(5-methyl-2,3-diphenylindol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6958902
(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7305267
(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6963876
10-(2-methylpropyl)acridin-9-one
CID 59742563
2-amino-3-(9-oxoacridin-10-yl)propanoic acid
CID 65443403
1-carbazol-9-yl-3-(oxan-4-ylsulfanyl)propan-2-ol
CID 109471037
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 6973791
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide
CID 3451825
3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 54613243

Frequently Asked Questions

What is the IUPAC name of 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one?
The IUPAC name of 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one (CID 7337905) is 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one.
What is the SMILES notation for 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one?
The canonical SMILES for 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one is O=c1c2ccccc2n(C[C@H](O)C[NH+]2CCOCC2)c2ccccc12.
What is the InChIKey of 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one?
The InChIKey is OBBKJJKSBDHHDY-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H22N2O3/c23-15(13-21-9-11-25-12-10-21)14-22-18-7-3-1-5-16(18)20(24)17-6-2-4-8-19(17)22/h1-8,15,23H,9-14H2/p+1/t15-/m1/s1.
What are the key properties of 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one?
10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one has a molecular weight of 339.41 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one is sourced from PubChem (CID 7337905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).