1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one

C16H23N3O3 — CID 57051183

IUPAC1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)/N=C/C(CON1C(=O)CCc2ccccc21)NO
InChIInChI=1S/C16H23N3O3/c1-16(2,3)17-10-13(18-21)11-22-19-14-7-5-4-6-12(14)8-9-15(19)20/h4-7,10,13,18,21H,8-9,11H2,1-3H3/b17-10+
InChIKeyLTMXYRQVRIPPSU-LICLKQGHSA-N
MW305.38 g/mol
LogP2.11
Rot. Bonds5

About 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one

1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 57051183) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one
PubChem CID57051183
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC(C)(C)/N=C/C(CON1C(=O)CCc2ccccc21)NO
InChIInChI=1S/C16H23N3O3/c1-16(2,3)17-10-13(18-21)11-22-19-14-7-5-4-6-12(14)8-9-15(19)20/h4-7,10,13,18,21H,8-9,11H2,1-3H3/b17-10+
InChIKeyLTMXYRQVRIPPSU-LICLKQGHSA-N
XLogP2.11
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]butoxy]-3,4-dihydroquinolin-2-one
CID 69185939
1-(3-chloro-2-nitrosopropoxy)-3,4-dihydroquinolin-2-one
CID 57023332
1-(aminomethoxy)-3,4-dihydroquinolin-2-one;hydrochloride
CID 67793338
1-[2-hydroxy-1-(4-phenylbut-2-enylamino)propoxy]-3,4-dihydroquinolin-2-one
CID 70414389
1-[4-[(S)-phenylsulfinyl]butoxy]-3,4-dihydroquinolin-2-one
CID 70607968
benzyl 7-[(2-oxo-3,4-dihydroquinolin-1-yl)oxy]heptanoate
CID 70553378
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
2-acetamido-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 64583291
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one (CID 57051183) is 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one is CC(C)(C)/N=C/C(CON1C(=O)CCc2ccccc21)NO.
What is the InChIKey of 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is LTMXYRQVRIPPSU-LICLKQGHSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)17-10-13(18-21)11-22-19-14-7-5-4-6-12(14)8-9-15(19)20/h4-7,10,13,18,21H,8-9,11H2,1-3H3/b17-10+.
What are the key properties of 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one?
1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 305.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butylimino-2-(hydroxyamino)propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 57051183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).