1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one

C15H20N2O3 — CID 115475683

IUPAC1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one
SMILESCOCCNCC(O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-20-9-7-16-10-12(18)11-17-8-6-15(19)13-4-2-3-5-14(13)17/h2-6,8,12,16,18H,7,9-11H2,1H3
InChIKeyMAEJYHDQHRCXNI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.60
Rot. Bonds7

About 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one

1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one (PubChem CID 115475683) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one
PubChem CID115475683
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one
SMILESCOCCNCC(O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-20-9-7-16-10-12(18)11-17-8-6-15(19)13-4-2-3-5-14(13)17/h2-6,8,12,16,18H,7,9-11H2,1H3
InChIKeyMAEJYHDQHRCXNI-UHFFFAOYSA-N
XLogP0.60
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475514
5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475877
1-(2,2-diethoxyethyl)quinolin-4-one
CID 63628929
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-indol-1-ylpropan-2-ol
CID 7037495
4-[2-hydroxy-3-(2-methoxyethylamino)propyl]morpholine-3,5-dione
CID 115475673
1-(4-chloroindol-1-yl)-3-(methylamino)propan-2-ol
CID 141278113
1-[(2-chlorophenyl)methylsulfinyl]-3-(2-methoxyethylamino)propan-2-ol
CID 103291641
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475590
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
CID 115475222
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]imidazolidine-2,4-dione
CID 115475508

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one?
The IUPAC name of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one (CID 115475683) is 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one?
The canonical SMILES for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one is COCCNCC(O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one?
The InChIKey is MAEJYHDQHRCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-9-7-16-10-12(18)11-17-8-6-15(19)13-4-2-3-5-14(13)17/h2-6,8,12,16,18H,7,9-11H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one?
1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one has a molecular weight of 276.34 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methoxyethylamino)propyl]quinolin-4-one is sourced from PubChem (CID 115475683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).