8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid

C16H24N2O7S — CID 70362996

IUPAC8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid
SMILESCCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12.O=S(=O)(O)O
InChIInChI=1S/C16H22N2O3.H2O4S/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;1-5(2,3)4/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);(H2,1,2,3,4)
InChIKeyIZHKASZZQOKKFV-UHFFFAOYSA-N
MW388.44 g/mol
LogP1.39
Rot. Bonds5

About 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid

8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid (PubChem CID 70362996) has the molecular formula C16H24N2O7S and a molecular weight of 388.44 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid
PubChem CID70362996
Molecular FormulaC16H24N2O7S
Molecular Weight388.44 g/mol
Exact Mass388.13
IUPAC Name8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid
SMILESCCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12.O=S(=O)(O)O
InChIInChI=1S/C16H22N2O3.H2O4S/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;1-5(2,3)4/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);(H2,1,2,3,4)
InChIKeyIZHKASZZQOKKFV-UHFFFAOYSA-N
XLogP1.39
TPSA159.95 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 51.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 688561
bis(8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
CID 66958037
5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinoline-8-carboxylic acid
CID 141419025
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
[(1R,2S)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylazanium
CID 6921794
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol;8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
CID 70000881
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
[5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-1H-quinolin-8-yl] 3-cyclohexyl-2-methylpropanoate
CID 23342067
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
5-[2-[cyclohexyl(methyl)amino]-1-hydroxybutyl]-8-hydroxy-1H-quinolin-2-one
CID 15590476

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid (CID 70362996) is 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid is CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12.O=S(=O)(O)O.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid?
The InChIKey is IZHKASZZQOKKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.H2O4S/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;1-5(2,3)4/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);(H2,1,2,3,4).
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid?
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid has a molecular weight of 388.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid is sourced from PubChem (CID 70362996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).